G4VMP1_SCHMA Loading...

Arp2/3 complex 34 kDa subunit

Functions as actin-binding component of the Arp2/3 complex which is involved in regulation of actin polymerization and together with an activating nucleation-promoting factor (NPF) mediates the formation of branched actin networks.

AlphaFold DB , UniProt , Accession G4VMP1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 329 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M63.9Low88.5Confident167 Ų16769.9 Ų69.982%0.82335%0.352SS*.  0111.40-171.1-17996.500107Y253M1-Y253 HydrophobicContact CE-CE2 4.07Å; M1-Y253 WeakPolarHBondContact CE-OH 3.19Å; M1-Y253 HydrophobicContact CG-CE2 4.04Å; M1-Y253 VanDerWaalsContact CG-OH 3.24Å; M1-Y253 WeakPolarHBondContact CG-OH 3.44Å; M1-Y253 HydrophobicContact SD-CE2 4.46Å; M1-Y253 PolarHBondContact SD-OH 3.33Å
2I78.2Confident89.3Confident102 Ų10268 Ų6852%0.52334%0.341SS..PPolyproline II helixtrans-84.2129.3-176.8-61.9169.2000108.4H257I2-H257 PolarHBondContact N-CE1 3.05Å; I2-H257 PolarHBondContact O-CE1 3.2Å; I2-H257 VanDerWaalsContact O-CE1 3.24Å; I2-H257 PolarHBondContact O-NE2 3.1Å
3I79.2Confident90Very high110 Ų11070.1 Ų70.156%0.56435%0.349SS*.PPolyproline II helixtrans-81.1133.2167.8-61.9176.3000106.6L246I3-L246 HydrophobicContact CG2-CD2 4.41Å
4L84.8Confident90.6Very high27 Ų2767.1 Ų67.114%0.14133%0.334CS..PPolyproline II helixtrans-75141.3176.2-61.3-180000109.4F38 N252 Y256L4-F38 HydrophobicContact CD1-CZ 4.48Å; L4-N252 VanDerWaalsContact CD1-C 3.46Å; L4-N252 HydrophobicContact CD1-CB 3.63Å; L4-Y256 HydrophobicContact CD2-CD1 4.32Å; L4-Y256 HydrophobicContact CD2-CD2 4.39Å; L4-Y256 HydrophobicContact CD2-CG 4.2Å
5E90.1Very high91.1Very high114 Ų11462.6 Ų62.653%0.53331%0.312SS..PPolyproline II helixtrans-62141.3174.9-68.3173.2-179.600110.2R9E5-R9 IonicContact OE1-NH1 3.53Å; E5-R9 WeakPolarHBondContact OE2-CD 3.43Å
6V93.2Very high91.5Very high41 Ų4160.4 Ų60.425%0.24830%0.303CS..SBendtrans-83.8-34.6-176.7-1800000110.9L115 R118 D245V6-L115 HydrophobicContact CB-CD2 4.29Å; V6-L115 HydrophobicContact CG1-CD2 3.85Å; V6-R118 HydrophobicContact CG1-CB 3.89Å; V6-R118 HydrophobicContact CG1-CG 3.62Å; V6-D245 HydrophobicContact CG1-CB 4.35Å; V6-D245 HydrophobicContact CG2-CB 3.91Å
7C95.2Very high91.9Very high18 Ų1860.6 Ų60.612%0.12231%0.308CS..SBendtrans-81.1150.9174.163.10000110.8R9 E12 G114 L115C7-R9 PolarHBondContact O-N 2.95Å; C7-R9 VanDerWaalsContact O-N 3.16Å; C7-E12 PolarHBondContact SG-OE2 3.37Å; C7-G114 WeakPolarHBondContact CA-O 3.31Å; C7-L115 HydrophobicContact CB-CD2 3.78Å; C7-L115 HydrophobicContact CB-CG 4.08Å
8N96.8Very high92.2Very high17 Ų1759.2 Ų59.29%0.09130%0.299CS..  trans-77.299.4166.7-167.9-52000109.4A10 V11 E12 D37 Y43 G114N8-A10 VanDerWaalsContact C-N 3.26Å; N8-A10 PolarHBondContact O-N 3.42Å; N8-A10 PolarHBondContact OD1-N 3Å; N8-V11 HydrophobicContact CB-CB 4.15Å; N8-V11 HydrophobicContact CB-CG2 3.93Å; N8-V11 WeakPolarHBondContact O-CB 3.38Å; N8-V11 PolarHBondContact O-N 3.48Å; N8-V11 VanDerWaalsContact O-N 3.15Å; N8-V11 PolarHBondContact OD1-N 3.36Å; N8-E12 PolarHBondContact O-N 3.31Å; N8-E12 VanDerWaalsContact O-N 3.11Å; N8-D37 PolarHBondContact ND2-OD2 3.29Å; N8-Y43 HydrophobicContact CB-CE2 4.27Å; N8-G114 PolarHBondContact N-O 2.99Å
9R96.2Very high92.5Very high134 Ų13456.1 Ų56.151%0.50628%0.283SS..Hα-helixtrans-57.3-35.8-177.6-177.6171.9169.1162.74.5114E5 C7 E12 E13E5-R9 IonicContact OE1-NH1 3.53Å; E5-R9 WeakPolarHBondContact OE2-CD 3.43Å; C7-R9 PolarHBondContact O-N 2.95Å; C7-R9 VanDerWaalsContact O-N 3.16Å; R9-E12 PolarHBondContact O-N 3.33Å; R9-E13 HydrophobicContact CG-CG 4.21Å; R9-E13 IonicContact CZ-OE1 3.67Å; R9-E13 IonicContact NE-OE1 3.92Å; R9-E13 PolarHBondContact NE-OE1 2.9Å; R9-E13 IonicContact NH2-OE1 3.68Å; R9-E13 PolarHBondContact NH2-OE1 2.95Å; R9-E13 VanDerWaalsContact NH2-OE1 3.11Å; R9-E13 WeakPolarHBondContact O-CB 3.25Å; R9-E13 WeakPolarHBondContact O-CG 3.42Å; R9-E13 PolarHBondContact O-N 3.34Å
10A97.6Very high92.7Very high39 Ų3957.1 Ų57.132%0.32229%0.286SS..Hα-helixtrans-68.1-38.9179.100000111.8N8 E12 I14 V35N8-A10 VanDerWaalsContact C-N 3.26Å; N8-A10 PolarHBondContact O-N 3.42Å; N8-A10 PolarHBondContact OD1-N 3Å; A10-E12 VanDerWaalsContact C-N 3.35Å; A10-I14 WeakPolarHBondContact O-CB 3.44Å; A10-I14 WeakPolarHBondContact O-CD1 3.41Å; A10-I14 WeakPolarHBondContact O-CG1 3.25Å; A10-I14 PolarHBondContact O-N 3.49Å; A10-I14 VanDerWaalsContact O-N 3.08Å; A10-V35 HydrophobicContact CB-CG1 3.76Å
11V98.4Very high92.8Very high0 Ų056.1 Ų56.10%028%0.281CS..Hα-helixtrans-62.1-45.8173.3173.60000110.3N8 L15 V35 Y43 I45 V57 C113N8-V11 HydrophobicContact CB-CB 4.15Å; N8-V11 HydrophobicContact CB-CG2 3.93Å; N8-V11 WeakPolarHBondContact O-CB 3.38Å; N8-V11 PolarHBondContact O-N 3.48Å; N8-V11 VanDerWaalsContact O-N 3.15Å; N8-V11 PolarHBondContact OD1-N 3.36Å; V11-L15 HydrophobicContact CG1-CD1 3.9Å; V11-L15 VanDerWaalsContact O-CG 3.28Å; V11-L15 WeakPolarHBondContact O-CG 3.12Å; V11-L15 PolarHBondContact O-N 3.17Å; V11-L15 VanDerWaalsContact O-N 3.1Å; V11-V35 HydrophobicContact CG2-CB 4.35Å; V11-V35 HydrophobicContact CG2-CG1 4.24Å; V11-Y43 HydrophobicContact CG1-CD1 4.47Å; V11-Y43 HydrophobicContact CG2-CD1 3.82Å; V11-Y43 HydrophobicContact CG2-CD2 4.01Å; V11-Y43 HydrophobicContact CG2-CE1 4.26Å; V11-Y43 HydrophobicContact CG2-CE2 4.45Å; V11-Y43 HydrophobicContact CG2-CG 3.66Å; V11-I45 HydrophobicContact CB-CD1 4.42Å; V11-I45 HydrophobicContact CG1-CD1 4.08Å; V11-I45 HydrophobicContact CG2-CD1 4.37Å; V11-V57 HydrophobicContact CG1-CG1 4.34Å; V11-C113 HydrophobicContact CG1-CB 4.49Å
12E98.2Very high94.4Very high47 Ų4748.3 Ų48.322%0.2224%0.243CC..Hα-helixtrans-60.4-51.9178.4-178.1172.5178.700111.9C7 N8 R9 A10 I14 L15 V16 H111C7-E12 PolarHBondContact SG-OE2 3.37Å; N8-E12 PolarHBondContact O-N 3.31Å; N8-E12 VanDerWaalsContact O-N 3.11Å; R9-E12 PolarHBondContact O-N 3.33Å; A10-E12 VanDerWaalsContact C-N 3.35Å; E12-I14 PolarHBondContact O-N 2.61Å; E12-L15 PolarHBondContact O-N 2.94Å; E12-L15 VanDerWaalsContact O-N 3.16Å; E12-V16 HydrophobicContact CG-CG2 4.38Å; E12-V16 WeakPolarHBondContact O-CG2 3.25Å; E12-V16 PolarHBondContact O-N 2.87Å; E12-H111 VanDerWaalsContact CD-ND1 3.34Å; E12-H111 IonicContact OE1-CG 2.93Å; E12-H111 IonicContact OE1-ND1 3.75Å; E12-H111 PolarHBondContact OE1-ND1 3.23Å; E12-H111 IonicContact OE2-CE1 3.16Å; E12-H111 IonicContact OE2-CG 4Å; E12-H111 IonicContact OE2-ND1 2.76Å; E12-H111 PolarHBondContact OE2-ND1 2.88Å
13E98.1Very high95.1Very high95 Ų9549.1 Ų49.144%0.44424%0.243SC..Hα-helixtrans-61.4-40.4-179.1-74.1177.6174.700112.7R9 T17R9-E13 HydrophobicContact CG-CG 4.21Å; R9-E13 IonicContact CZ-OE1 3.67Å; R9-E13 IonicContact NE-OE1 3.92Å; R9-E13 PolarHBondContact NE-OE1 2.9Å; R9-E13 IonicContact NH2-OE1 3.68Å; R9-E13 PolarHBondContact NH2-OE1 2.95Å; R9-E13 VanDerWaalsContact NH2-OE1 3.11Å; R9-E13 WeakPolarHBondContact O-CB 3.25Å; R9-E13 WeakPolarHBondContact O-CG 3.42Å; R9-E13 PolarHBondContact O-N 3.34Å; E13-T17 WeakPolarHBondContact O-CB 3.21Å; E13-T17 PolarHBondContact O-N 3.49Å; E13-T17 VanDerWaalsContact O-N 3.13Å; E13-T17 PolarHBondContact O-OG1 3.14Å
14I98.3Very high95.8Very high28 Ų2851.2 Ų51.214%0.14425%0.25CS..Hα-helixtrans-60-49.4174.8-71.2165.4000109.8A10 E12 T17 R18 Y33 V35 I45A10-I14 WeakPolarHBondContact O-CB 3.44Å; A10-I14 WeakPolarHBondContact O-CD1 3.41Å; A10-I14 WeakPolarHBondContact O-CG1 3.25Å; A10-I14 PolarHBondContact O-N 3.49Å; A10-I14 VanDerWaalsContact O-N 3.08Å; E12-I14 PolarHBondContact O-N 2.61Å; I14-T17 PolarHBondContact O-N 3.27Å; I14-R18 WeakPolarHBondContact O-CG 3.28Å; I14-R18 PolarHBondContact O-N 2.8Å; I14-R18 VanDerWaalsContact O-N 3.09Å; I14-Y33 HydrophobicContact CD1-CD1 4.15Å; I14-Y33 HydrophobicContact CD1-CD2 4.46Å; I14-Y33 HydrophobicContact CD1-CG 4.03Å; I14-Y33 HydrophobicContact CG2-CD2 3.75Å; I14-Y33 HydrophobicContact CG2-CE2 3.76Å; I14-Y33 HydrophobicContact CG2-CG 4.38Å; I14-V35 HydrophobicContact CD1-CG2 3.79Å; I14-I45 HydrophobicContact CB-CD1 4.29Å; I14-I45 HydrophobicContact CD1-CD1 4.23Å; I14-I45 HydrophobicContact CG2-CD1 3.99Å
15L98.4Very high96.2Very high0 Ų055.7 Ų55.70%027%0.271CS..Hα-helixtrans-68.5-43.9-175.7-69.8173.2000112.5V11 E12 T17 R18 F19 I45 I55 V57 A110 C113V11-L15 HydrophobicContact CG1-CD1 3.9Å; V11-L15 VanDerWaalsContact O-CG 3.28Å; V11-L15 WeakPolarHBondContact O-CG 3.12Å; V11-L15 PolarHBondContact O-N 3.17Å; V11-L15 VanDerWaalsContact O-N 3.1Å; E12-L15 PolarHBondContact O-N 2.94Å; E12-L15 VanDerWaalsContact O-N 3.16Å; L15-T17 VanDerWaalsContact C-N 3.31Å; L15-T17 PolarHBondContact O-N 3.39Å; L15-R18 PolarHBondContact O-N 3.38Å; L15-R18 VanDerWaalsContact O-N 3.13Å; L15-F19 HydrophobicContact CB-CE2 4.12Å; L15-F19 HydrophobicContact CB-CZ 4.1Å; L15-F19 HydrophobicContact CD2-CE1 4.22Å; L15-F19 HydrophobicContact CD2-CZ 4.1Å; L15-F19 WeakPolarHBondContact O-CB 3.19Å; L15-F19 WeakPolarHBondContact O-CD1 3.48Å; L15-F19 WeakPolarHBondContact O-CG 3.29Å; L15-F19 PolarHBondContact O-N 3.15Å; L15-I45 HydrophobicContact CD2-CG2 4.19Å; L15-I55 HydrophobicContact CD2-CD1 4.46Å; L15-I55 HydrophobicContact CD2-CG2 3.97Å; L15-V57 HydrophobicContact CD1-CG2 3.94Å; L15-V57 HydrophobicContact CD2-CG2 3.81Å; L15-V57 HydrophobicContact CG-CG2 4.46Å; L15-A110 HydrophobicContact CB-CB 3.74Å; L15-C113 HydrophobicContact CD1-CB 3.34Å
16V97.9Very high96.4Very high28 Ų2854.3 Ų54.317%0.1727%0.273CS..Hα-helixtrans-53.4-52.2174.5169.70000109.8E12 R18 F19 E20 A110E12-V16 HydrophobicContact CG-CG2 4.38Å; E12-V16 WeakPolarHBondContact O-CG2 3.25Å; E12-V16 PolarHBondContact O-N 2.87Å; V16-R18 VanDerWaalsContact C-N 3.28Å; V16-R18 PolarHBondContact O-N 2.91Å; V16-F19 PolarHBondContact O-N 2.83Å; V16-F19 VanDerWaalsContact O-N 3.16Å; V16-E20 HydrophobicContact CG1-CG 4.35Å; V16-E20 WeakPolarHBondContact O-CG 3.17Å; V16-E20 PolarHBondContact O-N 3.09Å; V16-A110 HydrophobicContact CG2-CB 3.63Å
17T97.3Very high96.5Very high64 Ų6457.7 Ų57.739%0.39328%0.282SS..Hα-helixtrans-56.6-42179.3-55.90000112E13 I14 L15 Q21E13-T17 WeakPolarHBondContact O-CB 3.21Å; E13-T17 PolarHBondContact O-N 3.49Å; E13-T17 VanDerWaalsContact O-N 3.13Å; E13-T17 PolarHBondContact O-OG1 3.14Å; I14-T17 PolarHBondContact O-N 3.27Å; L15-T17 VanDerWaalsContact C-N 3.31Å; L15-T17 PolarHBondContact O-N 3.39Å; T17-Q21 WeakPolarHBondContact O-CB 3.45Å; T17-Q21 WeakPolarHBondContact O-CG 3.29Å; T17-Q21 PolarHBondContact O-N 3.12Å
18R97.1Very high96.5Very high35 Ų3559.8 Ų59.813%0.13229%0.287CS..Hα-helixtrans-74.4-34.4-179.6-63.9-40.1-176.5161.26.1113.1I14 L15 V16 A22 D29 I31 Y33 I55I14-R18 WeakPolarHBondContact O-CG 3.28Å; I14-R18 PolarHBondContact O-N 2.8Å; I14-R18 VanDerWaalsContact O-N 3.09Å; L15-R18 PolarHBondContact O-N 3.38Å; L15-R18 VanDerWaalsContact O-N 3.13Å; V16-R18 VanDerWaalsContact C-N 3.28Å; V16-R18 PolarHBondContact O-N 2.91Å; R18-A22 WeakPolarHBondContact O-CB 3.48Å; R18-A22 PolarHBondContact O-N 3.07Å; R18-A22 VanDerWaalsContact O-N 3.11Å; R18-D29 IonicContact CZ-OD2 3.89Å; R18-D29 IonicContact NH1-OD2 2.79Å; R18-D29 PolarHBondContact NH1-OD2 2.86Å; R18-I31 HydrophobicContact CG-CD1 4.48Å; R18-Y33 PolarHBondContact NH2-OH 2.95Å; R18-I55 HydrophobicContact CB-CD1 3.75Å; R18-I55 HydrophobicContact CG-CD1 4.23Å
19F98Very high96.4Very high0 Ų061.1 Ų61.10%029%0.294CS..Hα-helixtrans-69.6-42.6177.3-66.3-10.8000111.5L15 V16 A22 K23 I55 I97 L99 L102 H106 L109 A110L15-F19 HydrophobicContact CB-CE2 4.12Å; L15-F19 HydrophobicContact CB-CZ 4.1Å; L15-F19 HydrophobicContact CD2-CE1 4.22Å; L15-F19 HydrophobicContact CD2-CZ 4.1Å; L15-F19 WeakPolarHBondContact O-CB 3.19Å; L15-F19 WeakPolarHBondContact O-CD1 3.48Å; L15-F19 WeakPolarHBondContact O-CG 3.29Å; L15-F19 PolarHBondContact O-N 3.15Å; V16-F19 PolarHBondContact O-N 2.83Å; V16-F19 VanDerWaalsContact O-N 3.16Å; F19-A22 PolarHBondContact O-N 2.99Å; F19-K23 VanDerWaalsContact O-CB 3.3Å; F19-K23 WeakPolarHBondContact O-CB 3.33Å; F19-K23 PolarHBondContact O-N 2.95Å; F19-I55 HydrophobicContact CE1-CD1 4.33Å; F19-I97 HydrophobicContact CE1-CD1 4.44Å; F19-I97 HydrophobicContact CE1-CG2 3.87Å; F19-I97 HydrophobicContact CZ-CD1 3.78Å; F19-I97 HydrophobicContact CZ-CG2 3.86Å; F19-L99 HydrophobicContact CD1-CD2 3.51Å; F19-L99 HydrophobicContact CE1-CD2 3.76Å; F19-L102 HydrophobicContact CB-CD1 3.88Å; F19-L102 HydrophobicContact CD1-CD1 4.03Å; F19-L102 HydrophobicContact CD1-CD2 3.78Å; F19-L102 HydrophobicContact CD2-CD2 4.29Å; F19-L102 HydrophobicContact CE1-CD2 3.87Å; F19-L102 HydrophobicContact CE2-CD2 4.36Å; F19-L102 HydrophobicContact CG-CD1 4.04Å; F19-L102 HydrophobicContact CG-CD2 4Å; F19-L102 HydrophobicContact CZ-CD2 4.17Å; F19-H106 HydrophobicContact CB-CB 4.26Å; F19-H106 HydrophobicContact CD2-CB 3.88Å; F19-H106 WeakPolarHBondContact CD2-O 2.98Å; F19-H106 HydrophobicContact CG-CB 4.38Å; F19-L109 HydrophobicContact CE2-CB 4.42Å; F19-L109 HydrophobicContact CE2-CD2 4.18Å; F19-L109 HydrophobicContact CE2-CG 4.2Å; F19-L109 HydrophobicContact CZ-CD2 4.3Å; F19-A110 HydrophobicContact CD2-CB 4.16Å; F19-A110 HydrophobicContact CE2-CB 3.91Å
20E96.4Very high96.4Very high75 Ų7561.5 Ų61.535%0.3530%0.3SS..Hα-helixtrans-62.4-46.3175.9-70.7175.1164.300111V16 A22 K23 E24V16-E20 HydrophobicContact CG1-CG 4.35Å; V16-E20 WeakPolarHBondContact O-CG 3.17Å; V16-E20 PolarHBondContact O-N 3.09Å; E20-A22 VanDerWaalsContact C-N 3.33Å; E20-A22 PolarHBondContact O-N 2.84Å; E20-K23 PolarHBondContact O-N 3.2Å; E20-E24 WeakPolarHBondContact O-CB 3.43Å; E20-E24 WeakPolarHBondContact O-CG 3.41Å; E20-E24 PolarHBondContact O-N 2.94Å
21Q96.1Very high96.3Very high37 Ų3760.2 Ų60.217%0.17329%0.287CS..Hα-helixtrans-57.5-42.6175-76.1170.6-3.100113T17 E25 S26 R27T17-Q21 WeakPolarHBondContact O-CB 3.45Å; T17-Q21 WeakPolarHBondContact O-CG 3.29Å; T17-Q21 PolarHBondContact O-N 3.12Å; Q21-E25 WeakPolarHBondContact O-CB 3.49Å; Q21-E25 PolarHBondContact O-N 3.08Å; Q21-E25 VanDerWaalsContact O-N 3.13Å; Q21-S26 PolarHBondContact O-N 2.78Å; Q21-R27 HydrophobicContact CB-CB 4.4Å; Q21-R27 PolarHBondContact O-N 3.32Å; Q21-R27 VanDerWaalsContact O-N 3.07Å
22A96.2Very high96.2Very high4 Ų466 Ų663%0.03332%0.318CS..Hα-helixtrans-67.5-41.2177.500000111.9R18 F19 E20 S26 Y28 L99 L102R18-A22 WeakPolarHBondContact O-CB 3.48Å; R18-A22 PolarHBondContact O-N 3.07Å; R18-A22 VanDerWaalsContact O-N 3.11Å; F19-A22 PolarHBondContact O-N 2.99Å; E20-A22 VanDerWaalsContact C-N 3.33Å; E20-A22 PolarHBondContact O-N 2.84Å; A22-S26 VanDerWaalsContact O-CA 3.28Å; A22-S26 WeakPolarHBondContact O-CA 3.25Å; A22-S26 PolarHBondContact O-N 2.87Å; A22-Y28 HydrophobicContact CB-CD1 4.34Å; A22-Y28 HydrophobicContact CB-CE1 3.87Å; A22-L99 HydrophobicContact CB-CB 3.97Å; A22-L99 HydrophobicContact CB-CD1 4.29Å; A22-L99 HydrophobicContact CB-CD2 4.29Å; A22-L99 HydrophobicContact CB-CG 4.43Å; A22-L102 HydrophobicContact CB-CD1 4.5Å
23K93.6Very high96.2Very high118 Ų11867.4 Ų67.451%0.51332%0.322SS..Hα-helixtrans-77.4-40.3-174.3-170.1175.6-178.3178.70113.4F19 E20 S104F19-K23 VanDerWaalsContact O-CB 3.3Å; F19-K23 WeakPolarHBondContact O-CB 3.33Å; F19-K23 PolarHBondContact O-N 2.95Å; E20-K23 PolarHBondContact O-N 3.2Å; K23-S104 PolarHBondContact NZ-O 3.24Å
24E93.6Very high96.2Very high154 Ų15467.8 Ų67.872%0.7233%0.331SS*.Hα-helixtrans-92.8-40.8-173.8-60.6-172.217000112.4E20E20-E24 WeakPolarHBondContact O-CB 3.43Å; E20-E24 WeakPolarHBondContact O-CG 3.41Å; E20-E24 PolarHBondContact O-N 2.94Å
25E93.3Very high96.2Very high122 Ų12267.3 Ų67.357%0.5733%0.329SS*.Hα-helixtrans-106.3-5.4-173.7-58.7179.4-16900113.2Q21 R27Q21-E25 WeakPolarHBondContact O-CB 3.49Å; Q21-E25 PolarHBondContact O-N 3.08Å; Q21-E25 VanDerWaalsContact O-N 3.13Å; E25-R27 HydrophobicContact CB-CB 3.84Å; E25-R27 PolarHBondContact O-N 2.6Å; E25-R27 WeakPolarHBondContact OE2-CD 3.49Å
26S93.7Very high96.1Very high84 Ų8471.1 Ų71.159%0.58736%0.361SS*.  trans51.133.7-167-62.30000112.2Q21 A22 Y28Q21-S26 PolarHBondContact O-N 2.78Å; A22-S26 VanDerWaalsContact O-CA 3.28Å; A22-S26 WeakPolarHBondContact O-CA 3.25Å; A22-S26 PolarHBondContact O-N 2.87Å; S26-Y28 VanDerWaalsContact O-CD2 3.27Å; S26-Y28 WeakPolarHBondContact O-CD2 3.37Å; S26-Y28 WeakPolarHBondContact O-CE2 3.48Å
27R95.7Very high96Very high113 Ų11371.3 Ų71.343%0.42636%0.361SS..  trans-96.8123.6-174.7-179.8177.3170.2-175.4-7.5110.6Q21 E25 D29Q21-R27 HydrophobicContact CB-CB 4.4Å; Q21-R27 PolarHBondContact O-N 3.32Å; Q21-R27 VanDerWaalsContact O-N 3.07Å; E25-R27 HydrophobicContact CB-CB 3.84Å; E25-R27 PolarHBondContact O-N 2.6Å; E25-R27 WeakPolarHBondContact OE2-CD 3.49Å; R27-D29 IonicContact CZ-OD1 3.4Å; R27-D29 IonicContact CZ-OD2 3.8Å; R27-D29 IonicContact NE-OD1 3.27Å; R27-D29 PolarHBondContact NE-OD1 3.44Å; R27-D29 IonicContact NE-OD2 3.53Å; R27-D29 PolarHBondContact NE-OD2 3.48Å; R27-D29 IonicContact NH2-OD1 2.85Å; R27-D29 PolarHBondContact NH2-OD1 3.48Å; R27-D29 IonicContact NH2-OD2 2.71Å; R27-D29 PolarHBondContact NH2-OD2 3.1Å
28Y96.4Very high95.8Very high61 Ų6173.3 Ų73.324%0.23936%0.364CS..  trans-121101.5-178.8-54.6-76.6000110A22 S26 K52 K53 L99A22-Y28 HydrophobicContact CB-CD1 4.34Å; A22-Y28 HydrophobicContact CB-CE1 3.87Å; S26-Y28 VanDerWaalsContact O-CD2 3.27Å; S26-Y28 WeakPolarHBondContact O-CD2 3.37Å; S26-Y28 WeakPolarHBondContact O-CE2 3.48Å; Y28-K52 VanDerWaalsContact O-CD 3.25Å; Y28-K52 WeakPolarHBondContact O-CD 3.39Å; Y28-K53 HydrophobicContact CD1-CG 4.25Å; Y28-K53 HydrophobicContact CE1-CG 4.42Å; Y28-K53 HydrophobicContact CG-CG 4.3Å; Y28-L99 HydrophobicContact CD1-CB 4.2Å; Y28-L99 HydrophobicContact CD1-CD1 3.82Å; Y28-L99 HydrophobicContact CE1-CB 3.79Å; Y28-L99 HydrophobicContact CE1-CD1 4.26Å
29D94.2Very high95.6Very high45 Ų4572.2 Ų72.224%0.24136%0.361CS..  trans-91.3152-179-75.2-11.2000111.5R18 R27 I31 N47R18-D29 IonicContact CZ-OD2 3.89Å; R18-D29 IonicContact NH1-OD2 2.79Å; R18-D29 PolarHBondContact NH1-OD2 2.86Å; R27-D29 IonicContact CZ-OD1 3.4Å; R27-D29 IonicContact CZ-OD2 3.8Å; R27-D29 IonicContact NE-OD1 3.27Å; R27-D29 PolarHBondContact NE-OD1 3.44Å; R27-D29 IonicContact NE-OD2 3.53Å; R27-D29 PolarHBondContact NE-OD2 3.48Å; R27-D29 IonicContact NH2-OD1 2.85Å; R27-D29 PolarHBondContact NH2-OD1 3.48Å; R27-D29 IonicContact NH2-OD2 2.71Å; R27-D29 PolarHBondContact NH2-OD2 3.1Å; D29-I31 HydrophobicContact CB-CG2 4.4Å; D29-N47 PolarHBondContact O-OD1 3.45Å
30K96.1Very high95.4Very high143 Ų14375.6 Ų75.662%0.62239%0.385SS*.  trans-74.9127.4165.9-174176.9-179.8173.80108.5N47 N50K30-N47 VanDerWaalsContact CA-OD1 3.28Å; K30-N47 WeakPolarHBondContact CA-OD1 3.47Å; K30-N50 PolarHBondContact NZ-OD1 3.44Å
31I96Very high95.4Very high11 Ų1172.1 Ų72.16%0.05637%0.369CS..  trans-129.4147.6-178.866173.1000111.7R18 D29 Y33 I45 S46 N47 I55R18-I31 HydrophobicContact CG-CD1 4.48Å; D29-I31 HydrophobicContact CB-CG2 4.4Å; I31-Y33 HydrophobicContact CB-CD2 4.02Å; I31-Y33 HydrophobicContact CB-CE2 3.67Å; I31-Y33 HydrophobicContact CD1-CE2 4.47Å; I31-Y33 HydrophobicContact CG2-CE2 3.83Å; I31-I45 HydrophobicContact CD1-CG2 3.94Å; I31-S46 WeakPolarHBondContact O-CA 3.33Å; I31-N47 PolarHBondContact N-OD1 3.26Å; I31-I55 HydrophobicContact CD1-CD1 3.75Å; I31-I55 HydrophobicContact CD1-CG1 3.84Å; I31-I55 HydrophobicContact CD1-CG2 4.08Å
32D96.2Very high95.5Very high121 Ų12172.5 Ų72.565%0.64737%0.374SS*.EExtended strand (participates in β ladder)trans-157.298.8171.2-174.24.8000107.7I45D32-I45 CarbonylContact C-O 3.58Å; D32-I45 WeakPolarHBondContact CA-O 3.27Å
33Y97.8Very high95.6Very high77 Ų7772.3 Ų72.330%0.30237%0.372SS..EExtended strand (participates in β ladder)trans-115.6140.1-179.5-62.4-78.3000110.3I14 R18 I31 T44 I45I14-Y33 HydrophobicContact CD1-CD1 4.15Å; I14-Y33 HydrophobicContact CD1-CD2 4.46Å; I14-Y33 HydrophobicContact CD1-CG 4.03Å; I14-Y33 HydrophobicContact CG2-CD2 3.75Å; I14-Y33 HydrophobicContact CG2-CE2 3.76Å; I14-Y33 HydrophobicContact CG2-CG 4.38Å; R18-Y33 PolarHBondContact NH2-OH 2.95Å; I31-Y33 HydrophobicContact CB-CD2 4.02Å; I31-Y33 HydrophobicContact CB-CE2 3.67Å; I31-Y33 HydrophobicContact CD1-CE2 4.47Å; I31-Y33 HydrophobicContact CG2-CE2 3.83Å; Y33-T44 CarbonylContact O-C 3.58Å; Y33-T44 VanDerWaalsContact O-CA 3.29Å; Y33-T44 WeakPolarHBondContact O-CA 3.45Å; Y33-I45 HydrophobicContact CD2-CB 4.41Å; Y33-I45 PolarHBondContact N-O 3.42Å; Y33-I45 PolarHBondContact O-N 2.76Å
34T98Very high95.9Very high103 Ų10367.9 Ų67.963%0.63236%0.355SS*.EExtended strand (participates in β ladder)trans-119.2120.3167.8-63.50000108.4V42 Y43T34-V42 HydrophobicContact CG2-CG1 3.51Å; T34-Y43 CarbonylContact C-O 3.58Å; T34-Y43 WeakPolarHBondContact CA-O 3.46Å
35V98Very high96.1Very high18 Ų1860.5 Ų60.511%0.10932%0.321CS..EExtended strand (participates in β ladder)trans-121.7122.4-176.7-178.80000108.9A10 V11 I14 Y43A10-V35 HydrophobicContact CB-CG1 3.76Å; V11-V35 HydrophobicContact CG2-CB 4.35Å; V11-V35 HydrophobicContact CG2-CG1 4.24Å; I14-V35 HydrophobicContact CD1-CG2 3.79Å; V35-Y43 PolarHBondContact N-O 2.84Å; V35-Y43 PolarHBondContact O-N 2.84Å
36A96.7Very high96.2Very high81 Ų8155.6 Ų55.667%0.66930%0.299SS*.EExtended strand (participates in β ladder)trans-79.3149.1175.600000111.4
37D95.6Very high96.4Very high32 Ų3252.4 Ų52.417%0.17128%0.276CS..  trans-129.9171.6169.9-156.5-40.9000109N8 I41 Y43 K117N8-D37 PolarHBondContact ND2-OD2 3.29Å; D37-I41 HydrophobicContact CB-CB 4.08Å; D37-I41 HydrophobicContact CB-CG2 4Å; D37-I41 PolarHBondContact N-O 3.46Å; D37-Y43 HydrophobicContact CB-CD2 4.31Å; D37-Y43 HydrophobicContact CB-CE2 4Å; D37-Y43 WeakPolarHBondContact OD2-CE2 3.4Å; D37-K117 IonicContact OD1-NZ 3.57Å
38F93.3Very high96.4Very high105 Ų10548 Ų4846%0.46126%0.262SS..SBendtrans-60.6160.2173.1-59.4-80.2000111.7L4 S40 I41 K117 N252L4-F38 HydrophobicContact CD1-CZ 4.48Å; F38-S40 VanDerWaalsContact C-N 3.29Å; F38-S40 PolarHBondContact O-N 2.95Å; F38-I41 WeakPolarHBondContact O-CB 3.1Å; F38-K117 PolarHBondContact O-NZ 3.3Å; F38-N252 WeakPolarHBondContact CB-ND2 3.44Å; F38-N252 WeakPolarHBondContact CB-OD1 3.4Å; F38-N252 HydrophobicContact CD1-CB 3.98Å; F38-N252 VanDerWaalsContact CD1-OD1 3.23Å; F38-N252 WeakPolarHBondContact CD1-OD1 3.26Å; F38-N252 HydrophobicContact CD2-CB 4.36Å; F38-N252 HydrophobicContact CE1-CB 4.07Å; F38-N252 HydrophobicContact CE2-CB 4.44Å; F38-N252 HydrophobicContact CG-CB 4.13Å; F38-N252 VanDerWaalsContact CG-ND2 3.26Å; F38-N252 WeakPolarHBondContact CG-ND2 3.4Å; F38-N252 WeakPolarHBondContact CG-OD1 3.44Å; F38-N252 HydrophobicContact CZ-CB 4.3Å
39D93.8Very high96.1Very high12 Ų1253.1 Ų53.16%0.06429%0.294CS..THydrogen-bonded Turntrans67.629.1178.1-46.2-54.6000113.8I41 F63 K117 Y148D39-I41 HydrophobicContact CB-CD1 4.31Å; D39-I41 PolarHBondContact O-N 3.34Å; D39-F63 HydrophobicContact CB-CE1 4.43Å; D39-K117 IonicContact OD2-NZ 3.83Å; D39-K117 PolarHBondContact OD2-NZ 3.33Å; D39-Y148 HydrophobicContact CB-CD2 4.49Å
40S93.3Very high95.8Very high72 Ų7256.3 Ų56.350%0.50331%0.311SS..THydrogen-bonded Turntrans59.327.6-180-51.60000112.8F38F38-S40 VanDerWaalsContact C-N 3.29Å; F38-S40 PolarHBondContact O-N 2.95Å
41I96.9Very high95.8Very high1 Ų152.4 Ų52.41%0.00530%0.297CS..  trans-85.5143.5176.7-69.8171.1000108.8D37 F38 D39 Y43 I59 F60 I61 F63 K117D37-I41 HydrophobicContact CB-CB 4.08Å; D37-I41 HydrophobicContact CB-CG2 4Å; D37-I41 PolarHBondContact N-O 3.46Å; F38-I41 WeakPolarHBondContact O-CB 3.1Å; D39-I41 HydrophobicContact CB-CD1 4.31Å; D39-I41 PolarHBondContact O-N 3.34Å; I41-Y43 HydrophobicContact CG2-CD2 4.48Å; I41-Y43 HydrophobicContact CG2-CE2 4.16Å; I41-I59 HydrophobicContact CG2-CD1 3.72Å; I41-I59 HydrophobicContact CG2-CG1 3.64Å; I41-F60 WeakPolarHBondContact CA-O 3.38Å; I41-I61 HydrophobicContact CD1-CD1 4.49Å; I41-I61 HydrophobicContact CD1-CG1 4.07Å; I41-I61 HydrophobicContact CD1-CG2 4.24Å; I41-I61 HydrophobicContact CG1-CB 4.44Å; I41-I61 HydrophobicContact CG1-CG1 4.08Å; I41-I61 HydrophobicContact CG1-CG2 4.32Å; I41-I61 HydrophobicContact CG2-CG1 4.35Å; I41-F63 HydrophobicContact CD1-CE1 4.48Å; I41-F63 HydrophobicContact CD1-CZ 4.3Å; I41-K117 HydrophobicContact CD1-CD 3.58Å; I41-K117 HydrophobicContact CD1-CG 3.81Å
42V97.9Very high95.8Very high46 Ų4656.9 Ų56.928%0.27932%0.316SS..EExtended strand (participates in β ladder)trans-133.8132.7-180-178.40000109T34 I59 F60T34-V42 HydrophobicContact CG2-CG1 3.51Å; V42-I59 CarbonylContact O-C 3.58Å; V42-I59 WeakPolarHBondContact O-CA 3.03Å; V42-F60 PolarHBondContact N-O 3.04Å; V42-F60 PolarHBondContact O-N 3.4Å
43Y98.4Very high95.8Very high0 Ų055.1 Ų55.10%030%0.302CS..EExtended strand (participates in β ladder)trans-97.4141.6168.1-70.1-101.7000110N8 V11 T34 V35 D37 I41 V57 S58 I59 L116 K117N8-Y43 HydrophobicContact CB-CE2 4.27Å; V11-Y43 HydrophobicContact CG1-CD1 4.47Å; V11-Y43 HydrophobicContact CG2-CD1 3.82Å; V11-Y43 HydrophobicContact CG2-CD2 4.01Å; V11-Y43 HydrophobicContact CG2-CE1 4.26Å; V11-Y43 HydrophobicContact CG2-CE2 4.45Å; V11-Y43 HydrophobicContact CG2-CG 3.66Å; T34-Y43 CarbonylContact C-O 3.58Å; T34-Y43 WeakPolarHBondContact CA-O 3.46Å; V35-Y43 PolarHBondContact N-O 2.84Å; V35-Y43 PolarHBondContact O-N 2.84Å; D37-Y43 HydrophobicContact CB-CD2 4.31Å; D37-Y43 HydrophobicContact CB-CE2 4Å; D37-Y43 WeakPolarHBondContact OD2-CE2 3.4Å; I41-Y43 HydrophobicContact CG2-CD2 4.48Å; I41-Y43 HydrophobicContact CG2-CE2 4.16Å; Y43-V57 HydrophobicContact CD1-CG1 4.31Å; Y43-S58 CarbonylContact C-O 3.57Å; Y43-S58 VanDerWaalsContact CA-O 3.24Å; Y43-S58 WeakPolarHBondContact CA-O 3.46Å; Y43-I59 HydrophobicContact CD1-CB 4.1Å; Y43-I59 HydrophobicContact CD1-CD1 4.34Å; Y43-I59 HydrophobicContact CD1-CG1 4.16Å; Y43-I59 HydrophobicContact CD2-CD1 4.49Å; Y43-I59 HydrophobicContact CD2-CG1 4.34Å; Y43-I59 HydrophobicContact CE1-CB 4.13Å; Y43-I59 HydrophobicContact CE1-CD1 3.68Å; Y43-I59 HydrophobicContact CE1-CG1 4Å; Y43-I59 HydrophobicContact CE2-CD1 3.82Å; Y43-I59 HydrophobicContact CE2-CG1 4.15Å; Y43-I59 HydrophobicContact CG-CG1 4.34Å; Y43-I59 WeakPolarHBondContact OH-CD1 3.24Å; Y43-L116 HydrophobicContact CE1-CB 3.99Å; Y43-L116 HydrophobicContact CE1-CD2 4.24Å; Y43-K117 WeakPolarHBondContact OH-CB 3.45Å; Y43-K117 PolarHBondContact OH-N 3.41Å
44T98.2Very high95.8Very high24 Ų2454.9 Ų54.915%0.14730%0.303CS..EExtended strand (participates in β ladder)trans-122124.1170.2-580000108.4Y33 S58 Q91Y33-T44 CarbonylContact O-C 3.58Å; Y33-T44 VanDerWaalsContact O-CA 3.29Å; Y33-T44 WeakPolarHBondContact O-CA 3.45Å; T44-S58 PolarHBondContact N-O 3.26Å; T44-S58 PolarHBondContact O-N 3.29Å; T44-Q91 PolarHBondContact OG1-NE2 2.92Å
45I98.1Very high95.8Very high0 Ų050 Ų500%027%0.273CS..EExtended strand (participates in β ladder)trans-119.6110179.6-49.8172.7000108.7V11 I14 L15 I31 D32 Y33 I55 L56 V57V11-I45 HydrophobicContact CB-CD1 4.42Å; V11-I45 HydrophobicContact CG1-CD1 4.08Å; V11-I45 HydrophobicContact CG2-CD1 4.37Å; I14-I45 HydrophobicContact CB-CD1 4.29Å; I14-I45 HydrophobicContact CD1-CD1 4.23Å; I14-I45 HydrophobicContact CG2-CD1 3.99Å; L15-I45 HydrophobicContact CD2-CG2 4.19Å; I31-I45 HydrophobicContact CD1-CG2 3.94Å; D32-I45 CarbonylContact C-O 3.58Å; D32-I45 WeakPolarHBondContact CA-O 3.27Å; Y33-I45 HydrophobicContact CD2-CB 4.41Å; Y33-I45 PolarHBondContact N-O 3.42Å; Y33-I45 PolarHBondContact O-N 2.76Å; I45-I55 HydrophobicContact CG2-CG2 3.48Å; I45-I55 VanDerWaalsContact CG2-CG2 3.48Å; I45-L56 VanDerWaalsContact CA-O 3.26Å; I45-L56 WeakPolarHBondContact CA-O 3.46Å; I45-V57 HydrophobicContact CG1-CG1 4.47Å; I45-V57 HydrophobicContact CG2-CG2 4.41Å
46S97Very high95.8Very high18 Ų1849.8 Ų49.813%0.12627%0.271CS..EExtended strand (participates in β ladder)trans-145.2170.2-170.169.10000112.2I31 L56I31-S46 WeakPolarHBondContact O-CA 3.33Å; S46-L56 PolarHBondContact N-O 2.8Å; S46-L56 VanDerWaalsContact N-O 3.09Å; S46-L56 PolarHBondContact O-N 2.85Å
47N97.2Very high95.9Very high17 Ų1746 Ų469%0.09124%0.239CC..  trans-92.1130.4171.1-57.3115.8000111.3D29 K30 I31 N49 D51 K54D29-N47 PolarHBondContact O-OD1 3.45Å; K30-N47 VanDerWaalsContact CA-OD1 3.28Å; K30-N47 WeakPolarHBondContact CA-OD1 3.47Å; I31-N47 PolarHBondContact N-OD1 3.26Å; N47-N49 PolarHBondContact O-N 2.91Å; N47-D51 WeakPolarHBondContact CB-O 3.29Å; N47-K54 PolarHBondContact ND2-O 2.77Å
48P94.6Very high96Very high22 Ų2244.4 Ų44.414%0.14323%0.231CC..G310 helixtrans-69.3128.4177.227.2-29.4000110.7N50 D51 K54 L56P48-N50 PolarHBondContact O-N 2.96Å; P48-D51 VanDerWaalsContact O-CB 3.28Å; P48-D51 WeakPolarHBondContact O-CB 3.45Å; P48-D51 PolarHBondContact O-N 3.18Å; P48-K54 WeakPolarHBondContact CD-O 3.32Å; P48-K54 HydrophobicContact CG-CB 3.54Å; P48-K54 HydrophobicContact CG-CD 4.25Å; P48-L56 HydrophobicContact CB-CD1 3.83Å; P48-L56 HydrophobicContact CB-CD2 4.2Å; P48-L56 HydrophobicContact CB-CG 3.87Å; P48-L56 HydrophobicContact CG-CD2 4.21Å; P48-L56 HydrophobicContact CG-CG 4.07Å
49N90.9Very high96.2Very high168 Ų16839.4 Ų39.490%0.89821%0.209SC*.G310 helixtrans51.632.5174.5-58.6-39.5000114.8N47 D51N47-N49 PolarHBondContact O-N 2.91Å; N49-D51 PolarHBondContact O-N 3.35Å
50N87.8Confident96.5Very high112 Ų11242.9 Ų42.960%0.59922%0.224SC*.G310 helixtrans61.614.7-171.6-62.1-64.2000115.7K30 P48 K52K30-N50 PolarHBondContact NZ-OD1 3.44Å; P48-N50 PolarHBondContact O-N 2.96Å; N50-K52 PolarHBondContact O-N 2.74Å; N50-K52 VanDerWaalsContact O-N 3.12Å
51D95.9Very high96.7Very high61 Ų6139.6 Ų39.633%0.32620%0.201SC..  trans-74.697.1170.8-175.92.4000110.3N47 P48 N49 K53 K54N47-D51 WeakPolarHBondContact CB-O 3.29Å; P48-D51 VanDerWaalsContact O-CB 3.28Å; P48-D51 WeakPolarHBondContact O-CB 3.45Å; P48-D51 PolarHBondContact O-N 3.18Å; N49-D51 PolarHBondContact O-N 3.35Å; D51-K53 PolarHBondContact O-N 3.11Å; D51-K53 VanDerWaalsContact O-N 3.16Å; D51-K53 WeakPolarHBondContact OD1-CB 3.5Å; D51-K53 PolarHBondContact OD1-N 2.93Å; D51-K53 VanDerWaalsContact OD1-N 3.08Å; D51-K54 PolarHBondContact O-N 3.44Å; D51-K54 VanDerWaalsContact O-N 3.14Å; D51-K54 WeakPolarHBondContact OD2-CD 3.45Å
52K96.1Very high96.7Very high105 Ų10545.2 Ų45.246%0.45723%0.225SC..THydrogen-bonded Turntrans-66.1-14.1-178.1-56.2-174.7-171.7177.30113.7Y28 N50 K54Y28-K52 VanDerWaalsContact O-CD 3.25Å; Y28-K52 WeakPolarHBondContact O-CD 3.39Å; N50-K52 PolarHBondContact O-N 2.74Å; N50-K52 VanDerWaalsContact O-N 3.12Å; K52-K54 PolarHBondContact O-N 3.3Å
53K96.4Very high96.6Very high83 Ų8343.3 Ų43.336%0.36121%0.213SC..THydrogen-bonded Turntrans-81.3-5.7177.5-61.8178.2168.1-161.30112.5Y28 D51 L99 E100Y28-K53 HydrophobicContact CD1-CG 4.25Å; Y28-K53 HydrophobicContact CE1-CG 4.42Å; Y28-K53 HydrophobicContact CG-CG 4.3Å; D51-K53 PolarHBondContact O-N 3.11Å; D51-K53 VanDerWaalsContact O-N 3.16Å; D51-K53 WeakPolarHBondContact OD1-CB 3.5Å; D51-K53 PolarHBondContact OD1-N 2.93Å; D51-K53 VanDerWaalsContact OD1-N 3.08Å; K53-L99 WeakPolarHBondContact O-CB 3.41Å; K53-L99 WeakPolarHBondContact O-CG 3.18Å; K53-L99 PolarHBondContact O-N 2.92Å; K53-E100 HydrophobicContact CB-CG 4.47Å; K53-E100 HydrophobicContact CD-CG 4.26Å; K53-E100 WeakPolarHBondContact CD-OE1 3.37Å; K53-E100 VanDerWaalsContact CE-OE1 3.27Å; K53-E100 WeakPolarHBondContact CE-OE1 3.33Å; K53-E100 IonicContact NZ-OE1 3.46Å; K53-E100 PolarHBondContact NZ-OE1 2.8Å; K53-E100 IonicContact NZ-OE2 2.95Å
54K97.6Very high96.6Very high73 Ų7343.9 Ų43.932%0.31722%0.215SC..EExtended strand (participates in β ladder)trans-124.7146.9178.8-66.3-178.2-176.1177.70111.2N47 P48 D51 K52 I97N47-K54 PolarHBondContact ND2-O 2.77Å; P48-K54 WeakPolarHBondContact CD-O 3.32Å; P48-K54 HydrophobicContact CG-CB 3.54Å; P48-K54 HydrophobicContact CG-CD 4.25Å; D51-K54 PolarHBondContact O-N 3.44Å; D51-K54 VanDerWaalsContact O-N 3.14Å; D51-K54 WeakPolarHBondContact OD2-CD 3.45Å; K52-K54 PolarHBondContact O-N 3.3Å; K54-I97 CarbonylContact C-O 3.51Å; K54-I97 VanDerWaalsContact CA-O 3.3Å; K54-I97 WeakPolarHBondContact CA-O 3.42Å
55I98Very high96.5Very high1 Ų148.1 Ų48.11%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-120128.6172.6-62-175.2000107.9L15 R18 F19 I31 I45 V57 I97 L99L15-I55 HydrophobicContact CD2-CD1 4.46Å; L15-I55 HydrophobicContact CD2-CG2 3.97Å; R18-I55 HydrophobicContact CB-CD1 3.75Å; R18-I55 HydrophobicContact CG-CD1 4.23Å; F19-I55 HydrophobicContact CE1-CD1 4.33Å; I31-I55 HydrophobicContact CD1-CD1 3.75Å; I31-I55 HydrophobicContact CD1-CG1 3.84Å; I31-I55 HydrophobicContact CD1-CG2 4.08Å; I45-I55 HydrophobicContact CG2-CG2 3.48Å; I45-I55 VanDerWaalsContact CG2-CG2 3.48Å; I55-V57 HydrophobicContact CG2-CG2 4.11Å; I55-I97 PolarHBondContact N-O 3.3Å; I55-I97 PolarHBondContact O-N 3.05Å; I55-L99 HydrophobicContact CD1-CD1 4.11Å; I55-L99 HydrophobicContact CD1-CD2 3.83Å; I55-L99 HydrophobicContact CD1-CG 4.35Å; I55-L99 HydrophobicContact CG1-CD1 4.02Å; I55-L99 HydrophobicContact CG1-CD2 4.15Å; I55-L99 HydrophobicContact CG1-CG 4.21Å
56L98.1Very high96.5Very high13 Ų1349.1 Ų49.17%0.06824%0.238CC..EExtended strand (participates in β ladder)trans-91.9131.1163.1-62.8-170.3000108.9I45 S46 P48 E88 T94 L95 C96I45-L56 VanDerWaalsContact CA-O 3.26Å; I45-L56 WeakPolarHBondContact CA-O 3.46Å; S46-L56 PolarHBondContact N-O 2.8Å; S46-L56 VanDerWaalsContact N-O 3.09Å; S46-L56 PolarHBondContact O-N 2.85Å; P48-L56 HydrophobicContact CB-CD1 3.83Å; P48-L56 HydrophobicContact CB-CD2 4.2Å; P48-L56 HydrophobicContact CB-CG 3.87Å; P48-L56 HydrophobicContact CG-CD2 4.21Å; P48-L56 HydrophobicContact CG-CG 4.07Å; L56-E88 HydrophobicContact CD1-CG 3.92Å; L56-E88 WeakPolarHBondContact CD1-OE1 3.31Å; L56-T94 HydrophobicContact CB-CG2 4.22Å; L56-T94 HydrophobicContact CD1-CG2 4.24Å; L56-T94 HydrophobicContact CD2-CG2 4Å; L56-T94 HydrophobicContact CG-CG2 4.38Å; L56-L95 CarbonylContact C-O 3.46Å; L56-L95 VanDerWaalsContact CA-O 3.27Å; L56-L95 WeakPolarHBondContact CA-O 3.5Å; L56-C96 HydrophobicContact CD2-CB 3.71Å
57V98.3Very high96.5Very high0 Ų048.2 Ų48.20%023%0.232CC..EExtended strand (participates in β ladder)trans-113.599.3167.5-176.10000106.9V11 L15 Y43 I45 I55 L95 I97 C113V11-V57 HydrophobicContact CG1-CG1 4.34Å; L15-V57 HydrophobicContact CD1-CG2 3.94Å; L15-V57 HydrophobicContact CD2-CG2 3.81Å; L15-V57 HydrophobicContact CG-CG2 4.46Å; Y43-V57 HydrophobicContact CD1-CG1 4.31Å; I45-V57 HydrophobicContact CG1-CG1 4.47Å; I45-V57 HydrophobicContact CG2-CG2 4.41Å; I55-V57 HydrophobicContact CG2-CG2 4.11Å; V57-L95 HydrophobicContact CB-CB 4.28Å; V57-L95 PolarHBondContact N-O 2.94Å; V57-L95 PolarHBondContact O-N 2.79Å; V57-I97 HydrophobicContact CG2-CD1 4.07Å; V57-C113 HydrophobicContact CG1-CB 4.48Å
58S98.3Very high96.5Very high0 Ų052.6 Ų52.60%025%0.25CS..EExtended strand (participates in β ladder)trans-103.2145.4-179.4-69.60000110.5Y43 T44 E88 V93 T94Y43-S58 CarbonylContact C-O 3.57Å; Y43-S58 VanDerWaalsContact CA-O 3.24Å; Y43-S58 WeakPolarHBondContact CA-O 3.46Å; T44-S58 PolarHBondContact N-O 3.26Å; T44-S58 PolarHBondContact O-N 3.29Å; S58-E88 WeakPolarHBondContact CB-OE2 3.03Å; S58-E88 PolarHBondContact OG-OE2 3.11Å; S58-V93 CarbonylContact C-O 3.59Å; S58-V93 VanDerWaalsContact CA-O 3.31Å; S58-V93 WeakPolarHBondContact CA-O 3.35Å; S58-T94 WeakPolarHBondContact OG-CB 3.36Å; S58-T94 VanDerWaalsContact OG-CG2 3.3Å; S58-T94 WeakPolarHBondContact OG-CG2 3.34Å; S58-T94 PolarHBondContact OG-OG1 3.47Å
59I98.4Very high96.6Very high0 Ų058.1 Ų58.10%027%0.274CS..EExtended strand (participates in β ladder)trans-129.8135.2176.4-168.3178.1000109.9I41 V42 Y43 I61 Q91 S92 V93 L116 K117I41-I59 HydrophobicContact CG2-CD1 3.72Å; I41-I59 HydrophobicContact CG2-CG1 3.64Å; V42-I59 CarbonylContact O-C 3.58Å; V42-I59 WeakPolarHBondContact O-CA 3.03Å; Y43-I59 HydrophobicContact CD1-CB 4.1Å; Y43-I59 HydrophobicContact CD1-CD1 4.34Å; Y43-I59 HydrophobicContact CD1-CG1 4.16Å; Y43-I59 HydrophobicContact CD2-CD1 4.49Å; Y43-I59 HydrophobicContact CD2-CG1 4.34Å; Y43-I59 HydrophobicContact CE1-CB 4.13Å; Y43-I59 HydrophobicContact CE1-CD1 3.68Å; Y43-I59 HydrophobicContact CE1-CG1 4Å; Y43-I59 HydrophobicContact CE2-CD1 3.82Å; Y43-I59 HydrophobicContact CE2-CG1 4.15Å; Y43-I59 HydrophobicContact CG-CG1 4.34Å; Y43-I59 WeakPolarHBondContact OH-CD1 3.24Å; I59-I61 HydrophobicContact CD1-CD1 4.01Å; I59-I61 HydrophobicContact CD1-CG1 4.03Å; I59-I61 HydrophobicContact CG1-CD1 4.5Å; I59-I61 HydrophobicContact CG1-CG1 4.04Å; I59-Q91 PolarHBondContact O-OE1 3.35Å; I59-S92 WeakPolarHBondContact O-CA 3.42Å; I59-S92 VanDerWaalsContact O-CB 3.26Å; I59-S92 WeakPolarHBondContact O-CB 3.43Å; I59-S92 PolarHBondContact O-N 3.37Å; I59-V93 HydrophobicContact CG2-CB 3.74Å; I59-V93 HydrophobicContact CG2-CG2 4.22Å; I59-V93 PolarHBondContact N-O 3.32Å; I59-V93 PolarHBondContact O-N 3.4Å; I59-L116 HydrophobicContact CB-CD2 3.87Å; I59-L116 HydrophobicContact CD1-CD2 4.48Å; I59-L116 HydrophobicContact CD1-CG 4.29Å; I59-L116 HydrophobicContact CG2-CD2 3.48Å; I59-L116 VanDerWaalsContact CG2-CD2 3.48Å; I59-L116 HydrophobicContact CG2-CG 3.92Å; I59-K117 HydrophobicContact CD1-CB 4.07Å
60F98.2Very high96.9Very high84 Ų8451 Ų5137%0.36824%0.235SC..EExtended strand (participates in β ladder)trans-104.2122171.1175.2-105000110.2I41 V42 K62 N90I41-F60 WeakPolarHBondContact CA-O 3.38Å; V42-F60 PolarHBondContact N-O 3.04Å; V42-F60 PolarHBondContact O-N 3.4Å; F60-K62 HydrophobicContact CE1-CB 4.42Å; F60-K62 HydrophobicContact CZ-CB 4.41Å; F60-N90 WeakPolarHBondContact CD2-O 3.48Å
61I97.7Very high97.3Very high4 Ų446.7 Ų46.72%0.02122%0.217CC..  trans-127.6114.5175.1-52.5177.4000107.8I41 I59 F63 F64 L67 S92 C120I41-I61 HydrophobicContact CD1-CD1 4.49Å; I41-I61 HydrophobicContact CD1-CG1 4.07Å; I41-I61 HydrophobicContact CD1-CG2 4.24Å; I41-I61 HydrophobicContact CG1-CB 4.44Å; I41-I61 HydrophobicContact CG1-CG1 4.08Å; I41-I61 HydrophobicContact CG1-CG2 4.32Å; I41-I61 HydrophobicContact CG2-CG1 4.35Å; I59-I61 HydrophobicContact CD1-CD1 4.01Å; I59-I61 HydrophobicContact CD1-CG1 4.03Å; I59-I61 HydrophobicContact CG1-CD1 4.5Å; I59-I61 HydrophobicContact CG1-CG1 4.04Å; I61-F63 VanDerWaalsContact C-N 3.29Å; I61-F63 HydrophobicContact CG2-CD1 3.81Å; I61-F63 HydrophobicContact CG2-CD2 3.89Å; I61-F63 HydrophobicContact CG2-CE1 3.6Å; I61-F63 HydrophobicContact CG2-CE2 3.68Å; I61-F63 HydrophobicContact CG2-CG 3.96Å; I61-F63 HydrophobicContact CG2-CZ 3.53Å; I61-F63 PolarHBondContact O-N 2.93Å; I61-F64 HydrophobicContact CB-CB 4.12Å; I61-F64 HydrophobicContact CB-CD2 4.47Å; I61-F64 HydrophobicContact CD1-CD2 4.23Å; I61-F64 HydrophobicContact CG2-CB 4.47Å; I61-F64 VanDerWaalsContact O-CB 3.23Å; I61-F64 WeakPolarHBondContact O-CB 3.39Å; I61-F64 PolarHBondContact O-N 3.29Å; I61-F64 VanDerWaalsContact O-N 3.12Å; I61-L67 HydrophobicContact CG2-CD1 4.49Å; I61-S92 PolarHBondContact N-OG 3.27Å; I61-S92 PolarHBondContact O-OG 2.87Å; I61-S92 VanDerWaalsContact O-OG 3.14Å; I61-C120 HydrophobicContact CD1-CB 3.74Å
62K96.8Very high97.4Very high119 Ų11943.8 Ų43.852%0.51720%0.201SC..THydrogen-bonded Turntrans-56.4-41.7-176.8-176.1177.1179177.70113.1F60 F64 D150F60-K62 HydrophobicContact CE1-CB 4.42Å; F60-K62 HydrophobicContact CZ-CB 4.41Å; K62-F64 VanDerWaalsContact C-N 3.31Å; K62-F64 PolarHBondContact O-N 2.75Å; K62-D150 IonicContact NZ-OD1 3.51Å; K62-D150 PolarHBondContact NZ-OD1 3.11Å; K62-D150 IonicContact NZ-OD2 2.72Å
63F96.8Very high97.4Very high5 Ų542.6 Ų42.62%0.02220%0.2CC..THydrogen-bonded Turntrans-92.219.3-177.556.5-88000113.3D39 I41 I61 H65 E66 L67 M121 I146 H147 Y148D39-F63 HydrophobicContact CB-CE1 4.43Å; I41-F63 HydrophobicContact CD1-CE1 4.48Å; I41-F63 HydrophobicContact CD1-CZ 4.3Å; I61-F63 VanDerWaalsContact C-N 3.29Å; I61-F63 HydrophobicContact CG2-CD1 3.81Å; I61-F63 HydrophobicContact CG2-CD2 3.89Å; I61-F63 HydrophobicContact CG2-CE1 3.6Å; I61-F63 HydrophobicContact CG2-CE2 3.68Å; I61-F63 HydrophobicContact CG2-CG 3.96Å; I61-F63 HydrophobicContact CG2-CZ 3.53Å; I61-F63 PolarHBondContact O-N 2.93Å; F63-H65 PolarHBondContact O-N 3.16Å; F63-E66 PolarHBondContact O-N 2.7Å; F63-E66 VanDerWaalsContact O-N 3.12Å; F63-L67 HydrophobicContact CD2-CD1 4.15Å; F63-L67 HydrophobicContact CD2-CD2 4.43Å; F63-L67 HydrophobicContact CD2-CG 4.09Å; F63-L67 HydrophobicContact CE2-CD1 3.93Å; F63-L67 HydrophobicContact CE2-CD2 4.42Å; F63-L67 HydrophobicContact CE2-CG 4.27Å; F63-L67 PolarHBondContact O-N 3.39Å; F63-M121 HydrophobicContact CE2-SD 3.64Å; F63-M121 HydrophobicContact CZ-SD 4.05Å; F63-I146 HydrophobicContact CD2-CG2 3.63Å; F63-I146 HydrophobicContact CE2-CG2 4.01Å; F63-I146 HydrophobicContact CG-CG2 4.39Å; F63-H147 WeakPolarHBondContact CB-O 3.29Å; F63-Y148 VanDerWaalsContact CD1-CA 3.45Å; F63-Y148 WeakPolarHBondContact CE1-O 3.47Å
64F97.7Very high97.5Very high12 Ų1244.6 Ų44.65%0.05321%0.211CC..Hα-helixtrans-60.6-28.9-177.7-167.9-116.9000113.8I61 K62 E66 L67 K68 V72 L76 S92 V93I61-F64 HydrophobicContact CB-CB 4.12Å; I61-F64 HydrophobicContact CB-CD2 4.47Å; I61-F64 HydrophobicContact CD1-CD2 4.23Å; I61-F64 HydrophobicContact CG2-CB 4.47Å; I61-F64 VanDerWaalsContact O-CB 3.23Å; I61-F64 WeakPolarHBondContact O-CB 3.39Å; I61-F64 PolarHBondContact O-N 3.29Å; I61-F64 VanDerWaalsContact O-N 3.12Å; K62-F64 VanDerWaalsContact C-N 3.31Å; K62-F64 PolarHBondContact O-N 2.75Å; F64-E66 VanDerWaalsContact C-N 3.3Å; F64-E66 PolarHBondContact O-N 3.13Å; F64-L67 HydrophobicContact CD2-CB 4.48Å; F64-L67 HydrophobicContact CD2-CD1 4.23Å; F64-L67 PolarHBondContact O-N 3.25Å; F64-K68 HydrophobicContact CD1-CD 4.31Å; F64-K68 VanDerWaalsContact CD1-CE 3.48Å; F64-K68 HydrophobicContact CD1-CG 4.22Å; F64-K68 HydrophobicContact CE1-CD 4.25Å; F64-K68 HydrophobicContact CE1-CG 4.07Å; F64-K68 PolarHBondContact O-N 3.2Å; F64-V72 HydrophobicContact CE1-CG1 4.41Å; F64-V72 HydrophobicContact CE2-CB 4.46Å; F64-V72 HydrophobicContact CE2-CG1 3.77Å; F64-V72 HydrophobicContact CE2-CG2 3.87Å; F64-V72 HydrophobicContact CZ-CG1 3.66Å; F64-V72 HydrophobicContact CZ-CG2 4.39Å; F64-L76 HydrophobicContact CE2-CD1 4.33Å; F64-L76 HydrophobicContact CZ-CD1 4.07Å; F64-S92 VanDerWaalsContact CE1-O 3.23Å; F64-S92 WeakPolarHBondContact CE1-O 3.13Å; F64-V93 HydrophobicContact CD2-CG2 4.47Å; F64-V93 HydrophobicContact CE1-CG2 4.11Å; F64-V93 HydrophobicContact CE2-CG2 3.51Å; F64-V93 HydrophobicContact CZ-CG2 3.3Å
65H96.7Very high97.5Very high113 Ų11341.5 Ų41.552%0.52320%0.198SC..Hα-helixtrans-61.9-37.6177.265.4-81.2000112.1F63 K68 E69F63-H65 PolarHBondContact O-N 3.16Å; H65-K68 WeakPolarHBondContact O-CB 3.4Å; H65-K68 PolarHBondContact O-N 3.36Å; H65-E69 PolarHBondContact O-N 3.01Å
66E97.5Very high97.5Very high21 Ų2141.6 Ų41.610%0.09820%0.199CC..Hα-helixtrans-68-40.3174.9-54177.3151.800110.5F63 F64 K68 E69 H70 I146 H147F63-E66 PolarHBondContact O-N 2.7Å; F63-E66 VanDerWaalsContact O-N 3.12Å; F64-E66 VanDerWaalsContact C-N 3.3Å; F64-E66 PolarHBondContact O-N 3.13Å; E66-K68 VanDerWaalsContact C-N 3.27Å; E66-K68 PolarHBondContact O-N 3.1Å; E66-E69 WeakPolarHBondContact O-CB 3.25Å; E66-E69 PolarHBondContact O-N 2.82Å; E66-E69 VanDerWaalsContact O-N 3.14Å; E66-H70 PolarHBondContact O-CD2 3.02Å; E66-I146 HydrophobicContact CB-CD1 3.91Å; E66-I146 VanDerWaalsContact OE2-CA 3.24Å; E66-I146 WeakPolarHBondContact OE2-CA 3.45Å; E66-H147 IonicContact OE1-CE1 3.59Å; E66-H147 IonicContact OE1-CG 3.84Å; E66-H147 IonicContact OE1-ND1 3.81Å; E66-H147 PolarHBondContact OE1-ND1 3.17Å; E66-H147 PolarHBondContact OE2-N 2.88Å; E66-H147 IonicContact OE2-ND1 2.75Å
67L97.9Very high97.5Very high0 Ų043.4 Ų43.40%022%0.215CC..Hα-helixtrans-62.3-34174.8-59-178.9000112.2I61 F63 F64 E69 H70 G71 V72 C120 M121 I146I61-L67 HydrophobicContact CG2-CD1 4.49Å; F63-L67 HydrophobicContact CD2-CD1 4.15Å; F63-L67 HydrophobicContact CD2-CD2 4.43Å; F63-L67 HydrophobicContact CD2-CG 4.09Å; F63-L67 HydrophobicContact CE2-CD1 3.93Å; F63-L67 HydrophobicContact CE2-CD2 4.42Å; F63-L67 HydrophobicContact CE2-CG 4.27Å; F63-L67 PolarHBondContact O-N 3.39Å; F64-L67 HydrophobicContact CD2-CB 4.48Å; F64-L67 HydrophobicContact CD2-CD1 4.23Å; F64-L67 PolarHBondContact O-N 3.25Å; L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 PolarHBondContact O-N 2.82Å; L67-H70 CarbonylContact O-C 3.57Å; L67-H70 WeakPolarHBondContact O-CA 3.33Å; L67-H70 PolarHBondContact O-N 3.26Å; L67-G71 PolarHBondContact O-N 3.17Å; L67-V72 HydrophobicContact CB-CB 4.02Å; L67-V72 HydrophobicContact CB-CG1 4.23Å; L67-V72 HydrophobicContact CB-CG2 4.23Å; L67-V72 WeakPolarHBondContact O-CB 3.47Å; L67-V72 PolarHBondContact O-N 2.85Å; L67-C120 HydrophobicContact CD1-CB 4.02Å; L67-M121 HydrophobicContact CD1-SD 4.38Å; L67-M121 HydrophobicContact CD2-SD 4.3Å; L67-I146 HydrophobicContact CD2-CD1 4.19Å; L67-I146 HydrophobicContact CD2-CG2 4.43Å
68K97.4Very high97.4Very high109 Ų10949.5 Ų49.547%0.47424%0.238SC..Hα-helixtrans-60-38.9173.8-73.2-177.6178.5-178.70112.5F64 H65 E66 H70 G71 V72F64-K68 HydrophobicContact CD1-CD 4.31Å; F64-K68 VanDerWaalsContact CD1-CE 3.48Å; F64-K68 HydrophobicContact CD1-CG 4.22Å; F64-K68 HydrophobicContact CE1-CD 4.25Å; F64-K68 HydrophobicContact CE1-CG 4.07Å; F64-K68 PolarHBondContact O-N 3.2Å; H65-K68 WeakPolarHBondContact O-CB 3.4Å; H65-K68 PolarHBondContact O-N 3.36Å; E66-K68 VanDerWaalsContact C-N 3.27Å; E66-K68 PolarHBondContact O-N 3.1Å; K68-H70 PolarHBondContact O-N 3.43Å; K68-H70 VanDerWaalsContact O-N 3.11Å; K68-G71 PolarHBondContact O-N 2.98Å; K68-V72 HydrophobicContact CB-CG1 4.36Å; K68-V72 HydrophobicContact CG-CG1 3.81Å
69E96.2Very high97.3Very high138 Ų13851.7 Ų51.765%0.64525%0.248SC*.Hα-helixtrans-63.6-17175.2-58.7-176.4-179.900112.8H65 E66 L67 K127H65-E69 PolarHBondContact O-N 3.01Å; E66-E69 WeakPolarHBondContact O-CB 3.25Å; E66-E69 PolarHBondContact O-N 2.82Å; E66-E69 VanDerWaalsContact O-N 3.14Å; L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 PolarHBondContact O-N 2.82Å; E69-K127 PolarHBondContact O-NZ 2.97Å
70H96.6Very high97.3Very high18 Ų1851.9 Ų51.98%0.08325%0.249CC..THydrogen-bonded Turntrans-108.313.7-178.7-59.6-60.8000114.7E66 L67 K68 V124 K127 F128 A144E66-H70 PolarHBondContact O-CD2 3.02Å; L67-H70 CarbonylContact O-C 3.57Å; L67-H70 WeakPolarHBondContact O-CA 3.33Å; L67-H70 PolarHBondContact O-N 3.26Å; K68-H70 PolarHBondContact O-N 3.43Å; K68-H70 VanDerWaalsContact O-N 3.11Å; H70-V124 HydrophobicContact CB-CB 4.2Å; H70-V124 HydrophobicContact CB-CG2 4.3Å; H70-K127 HydrophobicContact CB-CD 4.02Å; H70-F128 AromaticContact ND1-CE2 3.87Å; H70-A144 WeakPolarHBondContact CE1-CB 3.44Å; H70-A144 VanDerWaalsContact NE2-CB 3.35Å; H70-A144 WeakPolarHBondContact NE2-CB 3.37Å
71G96.2Very high97.2Very high21 Ų2149.8 Ų49.822%0.21625%0.251CS..THydrogen-bonded Turntrans86.530169.800000114.3L67 K68 N73 E74 V75L67-G71 PolarHBondContact O-N 3.17Å; K68-G71 PolarHBondContact O-N 2.98Å; G71-N73 VanDerWaalsContact C-N 3.26Å; G71-N73 PolarHBondContact O-N 2.94Å; G71-E74 WeakPolarHBondContact CA-OE2 3.47Å; G71-E74 PolarHBondContact O-N 3.31Å; G71-E74 VanDerWaalsContact O-OE2 3.06Å; G71-V75 PolarHBondContact O-N 2.94Å
72V97.8Very high97Very high0 Ų057.6 Ų57.60%029%0.293CS..Hα-helixtrans-63.2-32.4-179.976.90000112.9F64 L67 K68 E74 V75 L76 C120 A123F64-V72 HydrophobicContact CE1-CG1 4.41Å; F64-V72 HydrophobicContact CE2-CB 4.46Å; F64-V72 HydrophobicContact CE2-CG1 3.77Å; F64-V72 HydrophobicContact CE2-CG2 3.87Å; F64-V72 HydrophobicContact CZ-CG1 3.66Å; F64-V72 HydrophobicContact CZ-CG2 4.39Å; L67-V72 HydrophobicContact CB-CB 4.02Å; L67-V72 HydrophobicContact CB-CG1 4.23Å; L67-V72 HydrophobicContact CB-CG2 4.23Å; L67-V72 WeakPolarHBondContact O-CB 3.47Å; L67-V72 PolarHBondContact O-N 2.85Å; K68-V72 HydrophobicContact CB-CG1 4.36Å; K68-V72 HydrophobicContact CG-CG1 3.81Å; V72-E74 VanDerWaalsContact C-N 3.34Å; V72-E74 PolarHBondContact O-N 3.15Å; V72-V75 PolarHBondContact O-N 2.81Å; V72-L76 HydrophobicContact CG2-CD1 3.98Å; V72-L76 HydrophobicContact CG2-CG 4.21Å; V72-L76 WeakPolarHBondContact O-CB 3.46Å; V72-L76 WeakPolarHBondContact O-CG 3.31Å; V72-L76 PolarHBondContact O-N 2.78Å; V72-C120 HydrophobicContact CG2-CB 4.09Å; V72-A123 HydrophobicContact CB-CB 3.93Å; V72-A123 HydrophobicContact CG2-CB 4.13Å
73N97.2Very high97.1Very high80 Ų8055.1 Ų55.143%0.42828%0.282SS..Hα-helixtrans-67.1-38.8-178.3-64.4-30000111.2G71 L76 A77G71-N73 VanDerWaalsContact C-N 3.26Å; G71-N73 PolarHBondContact O-N 2.94Å; N73-L76 PolarHBondContact O-N 2.94Å; N73-A77 VanDerWaalsContact O-CB 3.26Å; N73-A77 WeakPolarHBondContact O-CB 3.26Å; N73-A77 PolarHBondContact O-N 3.13Å
74E97.5Very high97.1Very high126 Ų12657.8 Ų57.859%0.58930%0.296SS*.Hα-helixtrans-66.9-42.7178.2-64.676.3-173.900110.8G71 V72 R78G71-E74 WeakPolarHBondContact CA-OE2 3.47Å; G71-E74 PolarHBondContact O-N 3.31Å; G71-E74 VanDerWaalsContact O-OE2 3.06Å; V72-E74 VanDerWaalsContact C-N 3.34Å; V72-E74 PolarHBondContact O-N 3.15Å; E74-R78 WeakPolarHBondContact O-CB 3.33Å; E74-R78 PolarHBondContact O-N 3.2Å
75V97.7Very high97Very high8 Ų859.5 Ų59.55%0.04831%0.31CS..Hα-helixtrans-63.4-46.6174.3173.10000110.7G71 V72 A77 R78 E79 N119 A123G71-V75 PolarHBondContact O-N 2.94Å; V72-V75 PolarHBondContact O-N 2.81Å; V75-A77 PolarHBondContact O-N 3.18Å; V75-R78 WeakPolarHBondContact O-CB 3.49Å; V75-R78 PolarHBondContact O-N 3.44Å; V75-E79 HydrophobicContact CG1-CG 4.35Å; V75-E79 WeakPolarHBondContact O-CG 3.17Å; V75-E79 PolarHBondContact O-N 2.84Å; V75-N119 WeakPolarHBondContact CG1-O 3.33Å; V75-A123 HydrophobicContact CB-CB 4.37Å; V75-A123 HydrophobicContact CG2-CB 3.96Å
76L98.2Very high96.9Very high3 Ų358.9 Ų58.92%0.01632%0.318CS..Hα-helixtrans-65.2-39.4179.3-69.1171.6000112.4F64 V72 N73 E79 Y80 L84 V93 L116F64-L76 HydrophobicContact CE2-CD1 4.33Å; F64-L76 HydrophobicContact CZ-CD1 4.07Å; V72-L76 HydrophobicContact CG2-CD1 3.98Å; V72-L76 HydrophobicContact CG2-CG 4.21Å; V72-L76 WeakPolarHBondContact O-CB 3.46Å; V72-L76 WeakPolarHBondContact O-CG 3.31Å; V72-L76 PolarHBondContact O-N 2.78Å; N73-L76 PolarHBondContact O-N 2.94Å; L76-E79 PolarHBondContact O-N 2.84Å; L76-Y80 HydrophobicContact CB-CD2 4.48Å; L76-Y80 HydrophobicContact CD2-CD2 3.86Å; L76-Y80 HydrophobicContact CD2-CE2 3.69Å; L76-Y80 WeakPolarHBondContact O-CB 3.49Å; L76-Y80 WeakPolarHBondContact O-CD2 3.43Å; L76-Y80 PolarHBondContact O-N 2.72Å; L76-L84 HydrophobicContact CB-CD2 4.27Å; L76-V93 HydrophobicContact CD1-CB 4.4Å; L76-V93 HydrophobicContact CD1-CG1 3.97Å; L76-V93 HydrophobicContact CD1-CG2 3.47Å; L76-V93 VanDerWaalsContact CD1-CG2 3.47Å; L76-L116 HydrophobicContact CD2-CD1 3.76Å
77A97.8Very high96.7Very high50 Ų5060.3 Ų60.341%0.41333%0.334SS..Hα-helixtrans-63.3-42.3174.800000111.4N73 V75 G81N73-A77 VanDerWaalsContact O-CB 3.26Å; N73-A77 WeakPolarHBondContact O-CB 3.26Å; N73-A77 PolarHBondContact O-N 3.13Å; V75-A77 PolarHBondContact O-N 3.18Å; A77-G81 WeakPolarHBondContact O-CA 3.31Å; A77-G81 PolarHBondContact O-N 2.86Å
78R97.1Very high96.4Very high128 Ų12863.1 Ų63.148%0.48335%0.347SS..Hα-helixtrans-61.3-44.2174.7-178.6-171.171.4-147.94.6111.9E74 V75 E126E74-R78 WeakPolarHBondContact O-CB 3.33Å; E74-R78 PolarHBondContact O-N 3.2Å; V75-R78 WeakPolarHBondContact O-CB 3.49Å; V75-R78 PolarHBondContact O-N 3.44Å; R78-E126 IonicContact CZ-OE1 3.13Å; R78-E126 IonicContact CZ-OE2 3.32Å; R78-E126 IonicContact NH1-OE1 2.7Å; R78-E126 IonicContact NH1-OE2 2.72Å; R78-E126 PolarHBondContact NH1-OE2 2.83Å; R78-E126 IonicContact NH2-OE1 3.36Å; R78-E126 PolarHBondContact NH2-OE1 2.84Å; R78-E126 IonicContact NH2-OE2 2.88Å; R78-E126 PolarHBondContact NH2-OE2 2.89Å; R78-E126 VanDerWaalsContact NH2-OE2 3.13Å
79E96.7Very high96.2Very high47 Ų4763.2 Ų63.222%0.2236%0.359CS..Hα-helixtrans-78-44.9-175.2-67.1-49.5144.800112.7V75 L76 K112V75-E79 HydrophobicContact CG1-CG 4.35Å; V75-E79 WeakPolarHBondContact O-CG 3.17Å; V75-E79 PolarHBondContact O-N 2.84Å; L76-E79 PolarHBondContact O-N 2.84Å; E79-K112 WeakPolarHBondContact O-CE 3.24Å; E79-K112 PolarHBondContact O-NZ 2.92Å; E79-K112 WeakPolarHBondContact OE2-CE 3.26Å; E79-K112 IonicContact OE2-NZ 3.89Å; E79-K112 PolarHBondContact OE2-NZ 3.36Å
80Y97.5Very high96.1Very high4 Ų463.7 Ų63.72%0.01637%0.365CS..Hα-helixtrans-105.3-18.2-168.3-62.4-77.5000113.9L76 D82 F83 L95 K112 L116 N119L76-Y80 HydrophobicContact CB-CD2 4.48Å; L76-Y80 HydrophobicContact CD2-CD2 3.86Å; L76-Y80 HydrophobicContact CD2-CE2 3.69Å; L76-Y80 WeakPolarHBondContact O-CB 3.49Å; L76-Y80 WeakPolarHBondContact O-CD2 3.43Å; L76-Y80 PolarHBondContact O-N 2.72Å; Y80-D82 PolarHBondContact O-N 3.36Å; Y80-D82 VanDerWaalsContact O-N 3.14Å; Y80-F83 WeakPolarHBondContact O-CB 2.98Å; Y80-F83 VanDerWaalsContact O-CD2 3.24Å; Y80-F83 WeakPolarHBondContact O-CD2 3.34Å; Y80-F83 PolarHBondContact O-N 3.14Å; Y80-L95 HydrophobicContact CD1-CD1 3.55Å; Y80-L95 HydrophobicContact CD1-CD2 3.74Å; Y80-L95 HydrophobicContact CD1-CG 4.31Å; Y80-L95 HydrophobicContact CD2-CD2 4.14Å; Y80-L95 HydrophobicContact CE1-CD1 3.55Å; Y80-L95 HydrophobicContact CE1-CD2 4.41Å; Y80-L95 HydrophobicContact CG-CD1 4.24Å; Y80-L95 HydrophobicContact CG-CD2 3.58Å; Y80-K112 HydrophobicContact CD1-CG 4.48Å; Y80-K112 HydrophobicContact CE1-CD 4.28Å; Y80-K112 HydrophobicContact CE1-CG 3.77Å; Y80-K112 PolarHBondContact OH-O 3.36Å; Y80-L116 HydrophobicContact CD2-CD1 4.22Å; Y80-L116 HydrophobicContact CE1-CD1 4.45Å; Y80-L116 HydrophobicContact CE2-CD1 3.47Å; Y80-L116 VanDerWaalsContact CE2-CD1 3.47Å; Y80-L116 VanDerWaalsContact OH-CA 3.26Å; Y80-L116 WeakPolarHBondContact OH-CA 3.37Å; Y80-L116 PolarHBondContact OH-N 3.47Å; Y80-N119 HydrophobicContact CE2-CB 4.23Å; Y80-N119 PolarHBondContact OH-ND2 3.35Å
81G95.6Very high96.1Very high39 Ų3964.8 Ų64.840%0.40237%0.371SS..G310 helixtrans46-120.8176.500000112.3A77 F83 L84A77-G81 WeakPolarHBondContact O-CA 3.31Å; A77-G81 PolarHBondContact O-N 2.86Å; G81-F83 PolarHBondContact O-N 2.85Å; G81-L84 WeakPolarHBondContact O-CB 3.48Å; G81-L84 PolarHBondContact O-N 3.46Å
82D95.2Very high96.1Very high169 Ų16964.6 Ų64.690%0.90437%0.366SS*.G310 helixtrans-65.2-18.7-177.5-60.7-24.6000114.5Y80 L84Y80-D82 PolarHBondContact O-N 3.36Å; Y80-D82 VanDerWaalsContact O-N 3.14Å; D82-L84 VanDerWaalsContact C-N 3.26Å; D82-L84 PolarHBondContact O-N 3.4Å
83F97.1Very high96.2Very high66 Ų6664.9 Ų64.929%0.28937%0.368SS..G310 helixtrans-74.1-19.5174.5-58-66.6000112Y80 G81 S85 L95 C96 I97 L109Y80-F83 WeakPolarHBondContact O-CB 2.98Å; Y80-F83 VanDerWaalsContact O-CD2 3.24Å; Y80-F83 WeakPolarHBondContact O-CD2 3.34Å; Y80-F83 PolarHBondContact O-N 3.14Å; G81-F83 PolarHBondContact O-N 2.85Å; F83-S85 PolarHBondContact O-N 3.3Å; F83-L95 CarbonylContact O-C 3.52Å; F83-L95 WeakPolarHBondContact O-CA 3.39Å; F83-C96 PolarHBondContact O-N 2.92Å; F83-I97 HydrophobicContact CD1-CG1 4.39Å; F83-L109 HydrophobicContact CD2-CD1 4Å; F83-L109 HydrophobicContact CE1-CD1 4.29Å; F83-L109 HydrophobicContact CE1-CD2 3.92Å; F83-L109 HydrophobicContact CE2-CD1 3.76Å; F83-L109 HydrophobicContact CG-CD1 4.38Å; F83-L109 HydrophobicContact CZ-CD1 3.92Å; F83-L109 HydrophobicContact CZ-CD2 3.91Å
84L97.5Very high96.2Very high62 Ų6261.1 Ų61.133%0.32535%0.348SS..EExtended strand (participates in β ladder)trans-74.1119.4-179.1-170.265.1000110.3L76 G81 D82 V93 L95L76-L84 HydrophobicContact CB-CD2 4.27Å; G81-L84 WeakPolarHBondContact O-CB 3.48Å; G81-L84 PolarHBondContact O-N 3.46Å; D82-L84 VanDerWaalsContact C-N 3.26Å; D82-L84 PolarHBondContact O-N 3.4Å; L84-V93 HydrophobicContact CD1-CG1 3.64Å; L84-L95 HydrophobicContact CD1-CD2 3.99Å
85S95.1Very high96.3Very high47 Ų4755.2 Ų55.233%0.32932%0.32SS..EExtended strand (participates in β ladder)trans-109.3170.8178.6-178.20000111F83 A87 T94F83-S85 PolarHBondContact O-N 3.3Å; S85-A87 PolarHBondContact O-N 2.97Å; S85-T94 PolarHBondContact N-O 3.31Å
86S94.7Very high96.3Very high101 Ų10156.5 Ų56.571%0.70633%0.329SS*.PPolyproline II helixtrans-56.7131165.9590000109.8E88S86-E88 PolarHBondContact O-N 3.35Å
87A93.5Very high96.2Very high51 Ų5156.4 Ų56.442%0.42133%0.329SS..PPolyproline II helixtrans-58.4132.3177.500000111S85S85-A87 PolarHBondContact O-N 2.97Å
88E92.9Very high96.2Very high58 Ų5855.6 Ų55.627%0.27132%0.317SS..PPolyproline II helixtrans-63158.5172.4-74.1-172.9107.500111.6L56 S58 S86 N90 Q91 T94L56-E88 HydrophobicContact CD1-CG 3.92Å; L56-E88 WeakPolarHBondContact CD1-OE1 3.31Å; S58-E88 WeakPolarHBondContact CB-OE2 3.03Å; S58-E88 PolarHBondContact OG-OE2 3.11Å; S86-E88 PolarHBondContact O-N 3.35Å; E88-N90 PolarHBondContact O-N 3.23Å; E88-Q91 HydrophobicContact CB-CB 4.12Å; E88-Q91 HydrophobicContact CB-CG 3.79Å; E88-Q91 WeakPolarHBondContact O-CB 3.35Å; E88-Q91 PolarHBondContact O-N 2.75Å; E88-T94 HydrophobicContact CG-CG2 4.19Å; E88-T94 PolarHBondContact N-OG1 3.05Å
89P92.7Very high96.2Very high112 Ų11250.1 Ų50.173%0.72730%0.297SS*.THydrogen-bonded Turntrans-52.4132.9174.2-25.534.5000111.6Q91P89-Q91 PolarHBondContact O-N 2.98Å
90N92.8Very high96.1Very high147 Ų14753 Ų5379%0.78631%0.311SS*.THydrogen-bonded Turntrans62.712.5-177.2-49-49000115.4F60 E88F60-N90 WeakPolarHBondContact CD2-O 3.48Å; E88-N90 PolarHBondContact O-N 3.23Å
91Q97Very high96Very high42 Ų4260.3 Ų60.320%0.19634%0.343CS..  trans-106.2153.4173.3-59.1-67.5-1600110.2T44 I59 E88 P89T44-Q91 PolarHBondContact OG1-NE2 2.92Å; I59-Q91 PolarHBondContact O-OE1 3.35Å; E88-Q91 HydrophobicContact CB-CB 4.12Å; E88-Q91 HydrophobicContact CB-CG 3.79Å; E88-Q91 WeakPolarHBondContact O-CB 3.35Å; E88-Q91 PolarHBondContact O-N 2.75Å; P89-Q91 PolarHBondContact O-N 2.98Å
92S97.7Very high96Very high17 Ų1760 Ų6012%0.11933%0.332CS..SBendtrans-87.1-44.8178.7-600000111.6I59 I61 F64I59-S92 WeakPolarHBondContact O-CA 3.42Å; I59-S92 VanDerWaalsContact O-CB 3.26Å; I59-S92 WeakPolarHBondContact O-CB 3.43Å; I59-S92 PolarHBondContact O-N 3.37Å; I61-S92 PolarHBondContact N-OG 3.27Å; I61-S92 PolarHBondContact O-OG 2.87Å; I61-S92 VanDerWaalsContact O-OG 3.14Å; F64-S92 VanDerWaalsContact CE1-O 3.23Å; F64-S92 WeakPolarHBondContact CE1-O 3.13Å
93V98.1Very high95.9Very high6 Ų654.3 Ų54.34%0.03630%0.304CS..EExtended strand (participates in β ladder)trans-141.4142-179.8-173.90000108.4S58 I59 F64 L76 L84 L116S58-V93 CarbonylContact C-O 3.59Å; S58-V93 VanDerWaalsContact CA-O 3.31Å; S58-V93 WeakPolarHBondContact CA-O 3.35Å; I59-V93 HydrophobicContact CG2-CB 3.74Å; I59-V93 HydrophobicContact CG2-CG2 4.22Å; I59-V93 PolarHBondContact N-O 3.32Å; I59-V93 PolarHBondContact O-N 3.4Å; F64-V93 HydrophobicContact CD2-CG2 4.47Å; F64-V93 HydrophobicContact CE1-CG2 4.11Å; F64-V93 HydrophobicContact CE2-CG2 3.51Å; F64-V93 HydrophobicContact CZ-CG2 3.3Å; L76-V93 HydrophobicContact CD1-CB 4.4Å; L76-V93 HydrophobicContact CD1-CG1 3.97Å; L76-V93 HydrophobicContact CD1-CG2 3.47Å; L76-V93 VanDerWaalsContact CD1-CG2 3.47Å; L84-V93 HydrophobicContact CD1-CG1 3.64Å; V93-L116 HydrophobicContact CG1-CD1 4.22Å
94T98.3Very high95.7Very high1 Ų156.5 Ų56.51%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-130.7127.9174.4-62.70000109.5L56 S58 S85 E88L56-T94 HydrophobicContact CB-CG2 4.22Å; L56-T94 HydrophobicContact CD1-CG2 4.24Å; L56-T94 HydrophobicContact CD2-CG2 4Å; L56-T94 HydrophobicContact CG-CG2 4.38Å; S58-T94 WeakPolarHBondContact OG-CB 3.36Å; S58-T94 VanDerWaalsContact OG-CG2 3.3Å; S58-T94 WeakPolarHBondContact OG-CG2 3.34Å; S58-T94 PolarHBondContact OG-OG1 3.47Å; S85-T94 PolarHBondContact N-O 3.31Å; E88-T94 HydrophobicContact CG-CG2 4.19Å; E88-T94 PolarHBondContact N-OG1 3.05Å
95L98.3Very high95.5Very high1 Ų157.2 Ų57.21%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-99.5136.5168-52.4177.9000109.1L56 V57 Y80 F83 L84 L116L56-L95 CarbonylContact C-O 3.46Å; L56-L95 VanDerWaalsContact CA-O 3.27Å; L56-L95 WeakPolarHBondContact CA-O 3.5Å; V57-L95 HydrophobicContact CB-CB 4.28Å; V57-L95 PolarHBondContact N-O 2.94Å; V57-L95 PolarHBondContact O-N 2.79Å; Y80-L95 HydrophobicContact CD1-CD1 3.55Å; Y80-L95 HydrophobicContact CD1-CD2 3.74Å; Y80-L95 HydrophobicContact CD1-CG 4.31Å; Y80-L95 HydrophobicContact CD2-CD2 4.14Å; Y80-L95 HydrophobicContact CE1-CD1 3.55Å; Y80-L95 HydrophobicContact CE1-CD2 4.41Å; Y80-L95 HydrophobicContact CG-CD1 4.24Å; Y80-L95 HydrophobicContact CG-CD2 3.58Å; F83-L95 CarbonylContact O-C 3.52Å; F83-L95 WeakPolarHBondContact O-CA 3.39Å; L84-L95 HydrophobicContact CD1-CD2 3.99Å; L95-L116 HydrophobicContact CD1-CD1 4.37Å; L95-L116 HydrophobicContact CD1-CD2 4.21Å; L95-L116 HydrophobicContact CG-CD2 4.34Å
96C97.7Very high95.5Very high36 Ų3655.8 Ų55.824%0.24332%0.32CS..EExtended strand (participates in β ladder)trans-111.5121.9172.7-173.60000109.6L56 F83L56-C96 HydrophobicContact CD2-CB 3.71Å; F83-C96 PolarHBondContact O-N 2.92Å
97I97.9Very high95.6Very high1 Ų154.2 Ų54.21%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-117.6120.3-176.8-53.7174.8000108F19 K54 I55 V57 F83 L102 L109F19-I97 HydrophobicContact CE1-CD1 4.44Å; F19-I97 HydrophobicContact CE1-CG2 3.87Å; F19-I97 HydrophobicContact CZ-CD1 3.78Å; F19-I97 HydrophobicContact CZ-CG2 3.86Å; K54-I97 CarbonylContact C-O 3.51Å; K54-I97 VanDerWaalsContact CA-O 3.3Å; K54-I97 WeakPolarHBondContact CA-O 3.42Å; I55-I97 PolarHBondContact N-O 3.3Å; I55-I97 PolarHBondContact O-N 3.05Å; V57-I97 HydrophobicContact CG2-CD1 4.07Å; F83-I97 HydrophobicContact CD1-CG1 4.39Å; I97-L102 HydrophobicContact CG2-CD2 3.77Å; I97-L109 HydrophobicContact CG2-CD2 4.01Å
98D96.9Very high95.7Very high32 Ų3258 Ų5817%0.17131%0.313CS..EExtended strand (participates in β ladder)trans-87.8112.9175-173-13.6000109.1E100 K101 L102D98-E100 PolarHBondContact O-N 3.36Å; D98-E100 WeakPolarHBondContact OD1-CB 3.2Å; D98-E100 PolarHBondContact OD1-N 3.37Å; D98-K101 HydrophobicContact CB-CB 4.24Å; D98-K101 CarbonylContact O-C 3.55Å; D98-K101 PolarHBondContact O-N 3.08Å; D98-K101 WeakPolarHBondContact OD2-CD 3.29Å; D98-K101 IonicContact OD2-NZ 2.79Å; D98-L102 PolarHBondContact O-N 3.16Å
99L97.2Very high95.9Very high13 Ų1355.8 Ų55.87%0.06830%0.302CS..G310 helixtrans-67.4-20.6-177.6-63.3175.2000112.3F19 A22 Y28 K53 I55 K101 L102F19-L99 HydrophobicContact CD1-CD2 3.51Å; F19-L99 HydrophobicContact CE1-CD2 3.76Å; A22-L99 HydrophobicContact CB-CB 3.97Å; A22-L99 HydrophobicContact CB-CD1 4.29Å; A22-L99 HydrophobicContact CB-CD2 4.29Å; A22-L99 HydrophobicContact CB-CG 4.43Å; Y28-L99 HydrophobicContact CD1-CB 4.2Å; Y28-L99 HydrophobicContact CD1-CD1 3.82Å; Y28-L99 HydrophobicContact CE1-CB 3.79Å; Y28-L99 HydrophobicContact CE1-CD1 4.26Å; K53-L99 WeakPolarHBondContact O-CB 3.41Å; K53-L99 WeakPolarHBondContact O-CG 3.18Å; K53-L99 PolarHBondContact O-N 2.92Å; I55-L99 HydrophobicContact CD1-CD1 4.11Å; I55-L99 HydrophobicContact CD1-CD2 3.83Å; I55-L99 HydrophobicContact CD1-CG 4.35Å; I55-L99 HydrophobicContact CG1-CD1 4.02Å; I55-L99 HydrophobicContact CG1-CD2 4.15Å; I55-L99 HydrophobicContact CG1-CG 4.21Å; L99-K101 VanDerWaalsContact C-N 3.29Å; L99-L102 HydrophobicContact CD2-CD1 4.17Å; L99-L102 HydrophobicContact CD2-CD2 4.38Å
100E95Very high96.2Very high107 Ų10750.4 Ų50.450%0.527%0.268SS..G310 helixtrans-80.9-11.8175.3-60.2-170.2133.200112.6K53 D98K53-E100 HydrophobicContact CB-CG 4.47Å; K53-E100 HydrophobicContact CD-CG 4.26Å; K53-E100 WeakPolarHBondContact CD-OE1 3.37Å; K53-E100 VanDerWaalsContact CE-OE1 3.27Å; K53-E100 WeakPolarHBondContact CE-OE1 3.33Å; K53-E100 IonicContact NZ-OE1 3.46Å; K53-E100 PolarHBondContact NZ-OE1 2.8Å; K53-E100 IonicContact NZ-OE2 2.95Å; D98-E100 PolarHBondContact O-N 3.36Å; D98-E100 WeakPolarHBondContact OD1-CB 3.2Å; D98-E100 PolarHBondContact OD1-N 3.37Å
101K94.7Very high96.4Very high158 Ų15846.9 Ų46.969%0.68725%0.246SC*.G310 helixtrans-12733.9-176.4-59.9179-172160.70112.1D98 L99D98-K101 HydrophobicContact CB-CB 4.24Å; D98-K101 CarbonylContact O-C 3.55Å; D98-K101 PolarHBondContact O-N 3.08Å; D98-K101 WeakPolarHBondContact OD2-CD 3.29Å; D98-K101 IonicContact OD2-NZ 2.79Å; L99-K101 VanDerWaalsContact C-N 3.29Å
102L95.1Very high96.5Very high33 Ų3347.8 Ų47.817%0.17325%0.249CC..  trans-63139.1176.4-70.2171.2000110.9F19 A22 I97 D98 L99 H106 L109F19-L102 HydrophobicContact CB-CD1 3.88Å; F19-L102 HydrophobicContact CD1-CD1 4.03Å; F19-L102 HydrophobicContact CD1-CD2 3.78Å; F19-L102 HydrophobicContact CD2-CD2 4.29Å; F19-L102 HydrophobicContact CE1-CD2 3.87Å; F19-L102 HydrophobicContact CE2-CD2 4.36Å; F19-L102 HydrophobicContact CG-CD1 4.04Å; F19-L102 HydrophobicContact CG-CD2 4Å; F19-L102 HydrophobicContact CZ-CD2 4.17Å; A22-L102 HydrophobicContact CB-CD1 4.5Å; I97-L102 HydrophobicContact CG2-CD2 3.77Å; D98-L102 PolarHBondContact O-N 3.16Å; L99-L102 HydrophobicContact CD2-CD1 4.17Å; L99-L102 HydrophobicContact CD2-CD2 4.38Å; L102-H106 HydrophobicContact CB-CB 4.39Å; L102-L109 HydrophobicContact CD2-CD2 4.33Å
103P94.3Very high96.5Very high50 Ų5047 Ų4733%0.32524%0.244SC..  trans-65.2163.8173.128.8-34.3000110.9D105 H106 L109P103-D105 PolarHBondContact O-N 2.81Å; P103-H106 PolarHBondContact O-N 2.65Å; P103-L109 HydrophobicContact CG-CB 4.22Å; P103-L109 HydrophobicContact CG-CD2 4.04Å
104S92Very high96.4Very high111 Ų11146.7 Ų46.778%0.77624%0.242SC*.THydrogen-bonded Turntrans-54.7-44.4175.952.60000111.4K23 H106K23-S104 PolarHBondContact NZ-O 3.24Å; S104-H106 PolarHBondContact O-N 3.4Å; S104-H106 PolarHBondContact O-ND1 3.11Å
105D93.4Very high96.4Very high77 Ų7748.2 Ų48.241%0.41225%0.25SS..THydrogen-bonded Turntrans-97.466.7176.4-165.6-3.4000112P103 N107 Q108 L109P103-D105 PolarHBondContact O-N 2.81Å; D105-N107 PolarHBondContact O-N 3.42Å; D105-Q108 HydrophobicContact CB-CB 4.33Å; D105-Q108 VanDerWaalsContact CG-CB 3.47Å; D105-Q108 PolarHBondContact O-N 3.28Å; D105-Q108 PolarHBondContact OD1-N 3.16Å; D105-Q108 VanDerWaalsContact OD1-N 3.09Å; D105-Q108 WeakPolarHBondContact OD2-CB 3.43Å; D105-L109 PolarHBondContact O-N 2.63Å
106H95.3Very high96.4Very high18 Ų1848.1 Ų48.18%0.08325%0.25CC..Hα-helixtrans-66.8-22176.956.8-80.5000113F19 L102 P103 S104 L109 A110F19-H106 HydrophobicContact CB-CB 4.26Å; F19-H106 HydrophobicContact CD2-CB 3.88Å; F19-H106 WeakPolarHBondContact CD2-O 2.98Å; F19-H106 HydrophobicContact CG-CB 4.38Å; L102-H106 HydrophobicContact CB-CB 4.39Å; P103-H106 PolarHBondContact O-N 2.65Å; S104-H106 PolarHBondContact O-N 3.4Å; S104-H106 PolarHBondContact O-ND1 3.11Å; H106-L109 WeakPolarHBondContact O-CB 3.44Å; H106-L109 PolarHBondContact O-N 3.07Å; H106-A110 PolarHBondContact O-N 2.76Å
107N96.6Very high96.4Very high67 Ų6746.9 Ų46.936%0.35824%0.24SC..Hα-helixtrans-67.4-42.3174.1-71.4-26000111.1D105 L109 A110 H111D105-N107 PolarHBondContact O-N 3.42Å; N107-L109 VanDerWaalsContact C-N 3.28Å; N107-L109 PolarHBondContact O-N 3.06Å; N107-A110 PolarHBondContact O-N 3.08Å; N107-H111 PolarHBondContact O-N 3.36Å
108Q96.5Very high96.3Very high132 Ų13247.7 Ų47.762%0.61724%0.243SC*.Hα-helixtrans-62.4-36.6171.8-173.8178.353.400112.1D105 H111 K112D105-Q108 HydrophobicContact CB-CB 4.33Å; D105-Q108 VanDerWaalsContact CG-CB 3.47Å; D105-Q108 PolarHBondContact O-N 3.28Å; D105-Q108 PolarHBondContact OD1-N 3.16Å; D105-Q108 VanDerWaalsContact OD1-N 3.09Å; D105-Q108 WeakPolarHBondContact OD2-CB 3.43Å; Q108-H111 PolarHBondContact O-N 2.8Å; Q108-K112 VanDerWaalsContact O-CB 3.32Å; Q108-K112 WeakPolarHBondContact O-CB 3.46Å; Q108-K112 PolarHBondContact O-N 2.79Å
109L97.4Very high96.4Very high10 Ų1046.3 Ų46.35%0.05224%0.236CC..Hα-helixtrans-62.8-46.4173.9178.361.4000111.5F19 F83 I97 L102 P103 D105 H106 N107 H111 K112 C113F19-L109 HydrophobicContact CE2-CB 4.42Å; F19-L109 HydrophobicContact CE2-CD2 4.18Å; F19-L109 HydrophobicContact CE2-CG 4.2Å; F19-L109 HydrophobicContact CZ-CD2 4.3Å; F83-L109 HydrophobicContact CD2-CD1 4Å; F83-L109 HydrophobicContact CE1-CD1 4.29Å; F83-L109 HydrophobicContact CE1-CD2 3.92Å; F83-L109 HydrophobicContact CE2-CD1 3.76Å; F83-L109 HydrophobicContact CG-CD1 4.38Å; F83-L109 HydrophobicContact CZ-CD1 3.92Å; F83-L109 HydrophobicContact CZ-CD2 3.91Å; I97-L109 HydrophobicContact CG2-CD2 4.01Å; L102-L109 HydrophobicContact CD2-CD2 4.33Å; P103-L109 HydrophobicContact CG-CB 4.22Å; P103-L109 HydrophobicContact CG-CD2 4.04Å; D105-L109 PolarHBondContact O-N 2.63Å; H106-L109 WeakPolarHBondContact O-CB 3.44Å; H106-L109 PolarHBondContact O-N 3.07Å; N107-L109 VanDerWaalsContact C-N 3.28Å; N107-L109 PolarHBondContact O-N 3.06Å; L109-H111 VanDerWaalsContact C-N 3.35Å; L109-H111 PolarHBondContact O-N 3.43Å; L109-K112 WeakPolarHBondContact O-CB 3.28Å; L109-K112 PolarHBondContact O-N 2.9Å; L109-K112 VanDerWaalsContact O-N 3.15Å; L109-C113 PolarHBondContact O-N 2.8Å; L109-C113 PolarHBondContact O-SG 3.43Å; L109-C113 VanDerWaalsContact O-SG 3.33Å
110A98Very high96.4Very high0 Ų045.7 Ų45.70%023%0.233CC..Hα-helixtrans-59.4-45.1176.700000111.8L15 V16 F19 H106 N107 K112 C113 G114L15-A110 HydrophobicContact CB-CB 3.74Å; V16-A110 HydrophobicContact CG2-CB 3.63Å; F19-A110 HydrophobicContact CD2-CB 4.16Å; F19-A110 HydrophobicContact CE2-CB 3.91Å; H106-A110 PolarHBondContact O-N 2.76Å; N107-A110 PolarHBondContact O-N 3.08Å; A110-K112 VanDerWaalsContact C-N 3.33Å; A110-K112 PolarHBondContact O-N 2.78Å; A110-C113 WeakPolarHBondContact O-CB 3.21Å; A110-C113 PolarHBondContact O-N 3.31Å; A110-G114 PolarHBondContact O-N 3.05Å
111H97.9Very high96.5Very high73 Ų7341.1 Ų41.134%0.33821%0.211SC..Hα-helixtrans-59.7-43.4173.9-173.969.7000111.8E12 N107 Q108 L109 C113 G114 L115E12-H111 VanDerWaalsContact CD-ND1 3.34Å; E12-H111 IonicContact OE1-CG 2.93Å; E12-H111 IonicContact OE1-ND1 3.75Å; E12-H111 PolarHBondContact OE1-ND1 3.23Å; E12-H111 IonicContact OE2-CE1 3.16Å; E12-H111 IonicContact OE2-CG 4Å; E12-H111 IonicContact OE2-ND1 2.76Å; E12-H111 PolarHBondContact OE2-ND1 2.88Å; N107-H111 PolarHBondContact O-N 3.36Å; Q108-H111 PolarHBondContact O-N 2.8Å; L109-H111 VanDerWaalsContact C-N 3.35Å; L109-H111 PolarHBondContact O-N 3.43Å; H111-C113 VanDerWaalsContact C-N 3.3Å; H111-C113 PolarHBondContact O-N 3.28Å; H111-G114 WeakPolarHBondContact O-CA 3.4Å; H111-G114 PolarHBondContact O-N 3.39Å; H111-L115 PolarHBondContact O-N 3.29Å
112K97.1Very high96.7Very high60 Ų6033.6 Ų33.626%0.26118%0.179SC..Hα-helixtrans-63.3-34.8177.5-163.8173.4-170.1160.10112.6E79 Y80 Q108 L109 A110 L115E79-K112 WeakPolarHBondContact O-CE 3.24Å; E79-K112 PolarHBondContact O-NZ 2.92Å; E79-K112 WeakPolarHBondContact OE2-CE 3.26Å; E79-K112 IonicContact OE2-NZ 3.89Å; E79-K112 PolarHBondContact OE2-NZ 3.36Å; Y80-K112 HydrophobicContact CD1-CG 4.48Å; Y80-K112 HydrophobicContact CE1-CD 4.28Å; Y80-K112 HydrophobicContact CE1-CG 3.77Å; Y80-K112 PolarHBondContact OH-O 3.36Å; Q108-K112 VanDerWaalsContact O-CB 3.32Å; Q108-K112 WeakPolarHBondContact O-CB 3.46Å; Q108-K112 PolarHBondContact O-N 2.79Å; L109-K112 WeakPolarHBondContact O-CB 3.28Å; L109-K112 PolarHBondContact O-N 2.9Å; L109-K112 VanDerWaalsContact O-N 3.15Å; A110-K112 VanDerWaalsContact C-N 3.33Å; A110-K112 PolarHBondContact O-N 2.78Å; K112-L115 PolarHBondContact O-N 3.25Å
113C98.1Very high96.8Very high0 Ų032.1 Ų32.10%017%0.171CC..Hα-helixtrans-66.4-39.6171.1-67.30000111.9V11 L15 V57 L109 A110 H111 L115 L116V11-C113 HydrophobicContact CG1-CB 4.49Å; L15-C113 HydrophobicContact CD1-CB 3.34Å; V57-C113 HydrophobicContact CG1-CB 4.48Å; L109-C113 PolarHBondContact O-N 2.8Å; L109-C113 PolarHBondContact O-SG 3.43Å; L109-C113 VanDerWaalsContact O-SG 3.33Å; A110-C113 WeakPolarHBondContact O-CB 3.21Å; A110-C113 PolarHBondContact O-N 3.31Å; H111-C113 VanDerWaalsContact C-N 3.3Å; H111-C113 PolarHBondContact O-N 3.28Å; C113-L115 PolarHBondContact O-N 2.82Å; C113-L116 VanDerWaalsContact O-CB 3.25Å; C113-L116 WeakPolarHBondContact O-CB 3.36Å; C113-L116 PolarHBondContact O-N 3.07Å; C113-L116 VanDerWaalsContact O-N 3.17Å
114G97.5Very high96.9Very high1 Ų129.7 Ų29.71%0.0116%0.156CC..Hα-helixtrans-62.4-25.2172.600000113.8C7 N8 A110 H111 L116C7-G114 WeakPolarHBondContact CA-O 3.31Å; N8-G114 PolarHBondContact N-O 2.99Å; A110-G114 PolarHBondContact O-N 3.05Å; H111-G114 WeakPolarHBondContact O-CA 3.4Å; H111-G114 PolarHBondContact O-N 3.39Å; G114-L116 VanDerWaalsContact C-N 3.33Å
115L97.8Very high97.2Very high32 Ų3224.4 Ų24.417%0.16812%0.119CC..THydrogen-bonded Turntrans-85.45.5176.2-69173.3000114.3V6 C7 H111 K112 C113 K117 R118 N119V6-L115 HydrophobicContact CB-CD2 4.29Å; V6-L115 HydrophobicContact CG1-CD2 3.85Å; C7-L115 HydrophobicContact CB-CD2 3.78Å; C7-L115 HydrophobicContact CB-CG 4.08Å; H111-L115 PolarHBondContact O-N 3.29Å; K112-L115 PolarHBondContact O-N 3.25Å; C113-L115 PolarHBondContact O-N 2.82Å; L115-K117 PolarHBondContact O-N 3.24Å; L115-R118 HydrophobicContact CD2-CB 4.3Å; L115-R118 WeakPolarHBondContact O-CA 3.48Å; L115-R118 WeakPolarHBondContact O-CB 3.34Å; L115-R118 PolarHBondContact O-N 3.13Å; L115-N119 PolarHBondContact O-N 3.38Å
116L97.7Very high97.3Very high0 Ų022 Ų220%011%0.105CC..Hα-helixtrans-57.8-44.8-173.1-175.258.3000113.1Y43 I59 L76 Y80 V93 L95 C113 G114 R118 N119 C120Y43-L116 HydrophobicContact CE1-CB 3.99Å; Y43-L116 HydrophobicContact CE1-CD2 4.24Å; I59-L116 HydrophobicContact CB-CD2 3.87Å; I59-L116 HydrophobicContact CD1-CD2 4.48Å; I59-L116 HydrophobicContact CD1-CG 4.29Å; I59-L116 HydrophobicContact CG2-CD2 3.48Å; I59-L116 VanDerWaalsContact CG2-CD2 3.48Å; I59-L116 HydrophobicContact CG2-CG 3.92Å; L76-L116 HydrophobicContact CD2-CD1 3.76Å; Y80-L116 HydrophobicContact CD2-CD1 4.22Å; Y80-L116 HydrophobicContact CE1-CD1 4.45Å; Y80-L116 HydrophobicContact CE2-CD1 3.47Å; Y80-L116 VanDerWaalsContact CE2-CD1 3.47Å; Y80-L116 VanDerWaalsContact OH-CA 3.26Å; Y80-L116 WeakPolarHBondContact OH-CA 3.37Å; Y80-L116 PolarHBondContact OH-N 3.47Å; V93-L116 HydrophobicContact CG1-CD1 4.22Å; L95-L116 HydrophobicContact CD1-CD1 4.37Å; L95-L116 HydrophobicContact CD1-CD2 4.21Å; L95-L116 HydrophobicContact CG-CD2 4.34Å; C113-L116 VanDerWaalsContact O-CB 3.25Å; C113-L116 WeakPolarHBondContact O-CB 3.36Å; C113-L116 PolarHBondContact O-N 3.07Å; C113-L116 VanDerWaalsContact O-N 3.17Å; G114-L116 VanDerWaalsContact C-N 3.33Å; L116-R118 PolarHBondContact O-N 2.79Å; L116-N119 PolarHBondContact O-N 2.95Å; L116-C120 PolarHBondContact O-N 3.48Å; L116-C120 PolarHBondContact O-SG 2.89Å; L116-C120 VanDerWaalsContact O-SG 3.32Å
117K97.3Very high97.4Very high9 Ų925.4 Ų25.44%0.03912%0.12CC..Hα-helixtrans-55.6-49.5171.4173.4179.4175.2169.30112D37 F38 D39 I41 Y43 I59 L115 N119 C120 M121D37-K117 IonicContact OD1-NZ 3.57Å; F38-K117 PolarHBondContact O-NZ 3.3Å; D39-K117 IonicContact OD2-NZ 3.83Å; D39-K117 PolarHBondContact OD2-NZ 3.33Å; I41-K117 HydrophobicContact CD1-CD 3.58Å; I41-K117 HydrophobicContact CD1-CG 3.81Å; Y43-K117 WeakPolarHBondContact OH-CB 3.45Å; Y43-K117 PolarHBondContact OH-N 3.41Å; I59-K117 HydrophobicContact CD1-CB 4.07Å; L115-K117 PolarHBondContact O-N 3.24Å; K117-N119 VanDerWaalsContact C-N 3.27Å; K117-N119 PolarHBondContact O-N 3.2Å; K117-C120 WeakPolarHBondContact O-CB 3.12Å; K117-C120 PolarHBondContact O-N 3.14Å; K117-M121 WeakPolarHBondContact O-CG 3.42Å; K117-M121 PolarHBondContact O-N 2.99Å
118R97.3Very high97.4Very high18 Ų1822.5 Ų22.57%0.06810%0.104CC..Hα-helixtrans-57.8-43.5179.6175.3-88.8-172.3-156.9-3.9110.6V6 L115 L116 M121 A122 N241 D245V6-R118 HydrophobicContact CG1-CB 3.89Å; V6-R118 HydrophobicContact CG1-CG 3.62Å; L115-R118 HydrophobicContact CD2-CB 4.3Å; L115-R118 WeakPolarHBondContact O-CA 3.48Å; L115-R118 WeakPolarHBondContact O-CB 3.34Å; L115-R118 PolarHBondContact O-N 3.13Å; L116-R118 PolarHBondContact O-N 2.79Å; R118-M121 CarbonylContact O-C 3.59Å; R118-M121 PolarHBondContact O-N 3.47Å; R118-A122 WeakPolarHBondContact O-CB 3.26Å; R118-A122 PolarHBondContact O-N 2.85Å; R118-N241 PolarHBondContact NH2-OD1 2.94Å; R118-D245 IonicContact CZ-OD1 3.78Å; R118-D245 IonicContact NE-OD1 3.45Å; R118-D245 PolarHBondContact NE-OD1 2.84Å; R118-D245 IonicContact NH2-OD1 3.79Å; R118-D245 PolarHBondContact NH2-OD1 2.86Å; R118-D245 VanDerWaalsContact NH2-OD1 3.16Å
119N97.8Very high97.3Very high4 Ų416.2 Ų16.22%0.0217%0.074CC..Hα-helixtrans-69.8-35.3-179.8-69.7-21.9000112.2V75 Y80 L115 L116 K117 A122V75-N119 WeakPolarHBondContact CG1-O 3.33Å; Y80-N119 HydrophobicContact CE2-CB 4.23Å; Y80-N119 PolarHBondContact OH-ND2 3.35Å; L115-N119 PolarHBondContact O-N 3.38Å; L116-N119 PolarHBondContact O-N 2.95Å; K117-N119 VanDerWaalsContact C-N 3.27Å; K117-N119 PolarHBondContact O-N 3.2Å; N119-A122 WeakPolarHBondContact O-CB 3.5Å; N119-A122 PolarHBondContact O-N 3.47Å
120C98Very high97.2Very high0 Ų020 Ų200%09%0.092CC..Hα-helixtrans-60.4-45.7169.5-700000111.7I61 L67 V72 L116 K117I61-C120 HydrophobicContact CD1-CB 3.74Å; L67-C120 HydrophobicContact CD1-CB 4.02Å; V72-C120 HydrophobicContact CG2-CB 4.09Å; L116-C120 PolarHBondContact O-N 3.48Å; L116-C120 PolarHBondContact O-SG 2.89Å; L116-C120 VanDerWaalsContact O-SG 3.32Å; K117-C120 WeakPolarHBondContact O-CB 3.12Å; K117-C120 PolarHBondContact O-N 3.14Å
121M97.2Very high97Very high10 Ų1022.4 Ų22.45%0.04910%0.101CC..Hα-helixtrans-69.4-31.3178.3-68.1-63.8-7200112.6F63 L67 K117 R118 A123 V124 F125 M154 Q248F63-M121 HydrophobicContact CE2-SD 3.64Å; F63-M121 HydrophobicContact CZ-SD 4.05Å; L67-M121 HydrophobicContact CD1-SD 4.38Å; L67-M121 HydrophobicContact CD2-SD 4.3Å; K117-M121 WeakPolarHBondContact O-CG 3.42Å; K117-M121 PolarHBondContact O-N 2.99Å; R118-M121 CarbonylContact O-C 3.59Å; R118-M121 PolarHBondContact O-N 3.47Å; M121-A123 PolarHBondContact O-N 3.42Å; M121-A123 VanDerWaalsContact O-N 3.16Å; M121-V124 WeakPolarHBondContact O-CG1 3.29Å; M121-V124 PolarHBondContact O-N 3.38Å; M121-F125 HydrophobicContact CB-CE2 4.49Å; M121-F125 WeakPolarHBondContact O-CD2 3.14Å; M121-M154 HydrophobicContact CE-CE 3.67Å; M121-M154 HydrophobicContact CE-SD 4.35Å; M121-Q248 HydrophobicContact CB-CB 4.29Å
122A97.5Very high96.8Very high0 Ų019.6 Ų19.60%09%0.088CC..Hα-helixtrans-56.8-32.6179.900000112.3R118 N119 V124 F125 E126 I244R118-A122 WeakPolarHBondContact O-CB 3.26Å; R118-A122 PolarHBondContact O-N 2.85Å; N119-A122 WeakPolarHBondContact O-CB 3.5Å; N119-A122 PolarHBondContact O-N 3.47Å; A122-V124 PolarHBondContact O-N 3.43Å; A122-F125 PolarHBondContact O-N 3.14Å; A122-E126 WeakPolarHBondContact O-CB 3.24Å; A122-E126 WeakPolarHBondContact O-CG 3.25Å; A122-E126 PolarHBondContact O-N 3.42Å; A122-I244 HydrophobicContact CB-CD1 4.23Å; A122-I244 HydrophobicContact CB-CG2 3.99Å
123A97.2Very high96.5Very high2 Ų220.9 Ų20.92%0.01710%0.097CC..Hα-helixtrans-53.9-45.6-179.100000114V72 V75 M121 F125 K127V72-A123 HydrophobicContact CB-CB 3.93Å; V72-A123 HydrophobicContact CG2-CB 4.13Å; V75-A123 HydrophobicContact CB-CB 4.37Å; V75-A123 HydrophobicContact CG2-CB 3.96Å; M121-A123 PolarHBondContact O-N 3.42Å; M121-A123 VanDerWaalsContact O-N 3.16Å; A123-F125 VanDerWaalsContact C-N 3.34Å; A123-F125 PolarHBondContact O-N 3.43Å; A123-K127 VanDerWaalsContact O-CB 3.31Å; A123-K127 WeakPolarHBondContact O-CB 3.46Å; A123-K127 PolarHBondContact O-N 3.31Å; A123-K127 VanDerWaalsContact O-N 3.17Å
124V97.8Very high96.2Very high0 Ų028.2 Ų28.20%013%0.129CC..Hα-helixtrans-68.1-36178.7720000111.5H70 M121 A122 F128 A144 I146 M154 V156H70-V124 HydrophobicContact CB-CB 4.2Å; H70-V124 HydrophobicContact CB-CG2 4.3Å; M121-V124 WeakPolarHBondContact O-CG1 3.29Å; M121-V124 PolarHBondContact O-N 3.38Å; A122-V124 PolarHBondContact O-N 3.43Å; V124-F128 HydrophobicContact CG2-CD2 4.34Å; V124-F128 HydrophobicContact CG2-CE2 4.18Å; V124-F128 WeakPolarHBondContact O-CD2 3.4Å; V124-A144 HydrophobicContact CG2-CB 3.62Å; V124-I146 HydrophobicContact CG2-CD1 4.29Å; V124-I146 HydrophobicContact CG2-CG1 4.26Å; V124-M154 HydrophobicContact CG1-CE 3.87Å; V124-V156 HydrophobicContact CG1-CG2 4.46Å; V124-V156 HydrophobicContact CG2-CB 4.37Å; V124-V156 HydrophobicContact CG2-CG2 4.08Å
125F97.8Very high95.9Very high0 Ų028.8 Ų28.80%013%0.133CC..Hα-helixtrans-74.9-48.1-179.6-62.5-67.6000111.9M121 A122 A123 K127 F128 F129 M154 V156 V165 I244 I247 Q248M121-F125 HydrophobicContact CB-CE2 4.49Å; M121-F125 WeakPolarHBondContact O-CD2 3.14Å; A122-F125 PolarHBondContact O-N 3.14Å; A123-F125 VanDerWaalsContact C-N 3.34Å; A123-F125 PolarHBondContact O-N 3.43Å; F125-K127 VanDerWaalsContact C-N 3.34Å; F125-K127 PolarHBondContact O-N 3.33Å; F125-F128 PolarHBondContact O-N 3.2Å; F125-F128 VanDerWaalsContact O-N 3.1Å; F125-F129 HydrophobicContact CB-CD2 4.44Å; F125-F129 HydrophobicContact CB-CE1 4.29Å; F125-F129 HydrophobicContact CB-CE2 3.91Å; F125-F129 HydrophobicContact CB-CZ 3.82Å; F125-F129 HydrophobicContact CD1-CZ 4.32Å; F125-F129 HydrophobicContact CG-CZ 4.43Å; F125-F129 WeakPolarHBondContact O-CB 3.35Å; F125-F129 VanDerWaalsContact O-CD1 3.26Å; F125-F129 WeakPolarHBondContact O-CD1 3.24Å; F125-F129 WeakPolarHBondContact O-CG 3.4Å; F125-F129 PolarHBondContact O-N 3.43Å; F125-M154 HydrophobicContact CE1-CE 4.46Å; F125-M154 HydrophobicContact CE1-SD 4.12Å; F125-M154 HydrophobicContact CE2-CE 4.4Å; F125-M154 HydrophobicContact CZ-CE 3.84Å; F125-M154 HydrophobicContact CZ-SD 3.55Å; F125-M154 VanDerWaalsContact CZ-SD 3.55Å; F125-V156 HydrophobicContact CD1-CG2 4.33Å; F125-V156 HydrophobicContact CE1-CG2 4.02Å; F125-V165 HydrophobicContact CD1-CG2 4.43Å; F125-V165 HydrophobicContact CE1-CG1 4.12Å; F125-V165 HydrophobicContact CE1-CG2 4.09Å; F125-I244 HydrophobicContact CB-CD1 4.04Å; F125-I244 HydrophobicContact CB-CG1 3.71Å; F125-I244 HydrophobicContact CD2-CG1 4.29Å; F125-I244 HydrophobicContact CD2-CG2 4.2Å; F125-I244 HydrophobicContact CG-CG1 4.2Å; F125-I247 HydrophobicContact CD1-CG2 4.12Å; F125-I247 HydrophobicContact CE1-CG2 3.65Å; F125-I247 HydrophobicContact CE2-CG2 4.12Å; F125-I247 HydrophobicContact CZ-CG2 3.64Å; F125-Q248 HydrophobicContact CE2-CB 3.98Å; F125-Q248 HydrophobicContact CZ-CB 4.5Å
126E96.4Very high95.4Very high27 Ų2732.8 Ų32.813%0.12615%0.154CC..Hα-helixtrans-56.7-47.2179.6-72.4-177.1-16100111.4R78 A122 F128 F129 E130 I244R78-E126 IonicContact CZ-OE1 3.13Å; R78-E126 IonicContact CZ-OE2 3.32Å; R78-E126 IonicContact NH1-OE1 2.7Å; R78-E126 IonicContact NH1-OE2 2.72Å; R78-E126 PolarHBondContact NH1-OE2 2.83Å; R78-E126 IonicContact NH2-OE1 3.36Å; R78-E126 PolarHBondContact NH2-OE1 2.84Å; R78-E126 IonicContact NH2-OE2 2.88Å; R78-E126 PolarHBondContact NH2-OE2 2.89Å; R78-E126 VanDerWaalsContact NH2-OE2 3.13Å; A122-E126 WeakPolarHBondContact O-CB 3.24Å; A122-E126 WeakPolarHBondContact O-CG 3.25Å; A122-E126 PolarHBondContact O-N 3.42Å; E126-F128 PolarHBondContact O-N 2.92Å; E126-F129 PolarHBondContact O-N 2.62Å; E126-E130 WeakPolarHBondContact O-CB 3.35Å; E126-E130 WeakPolarHBondContact O-CG 3.01Å; E126-E130 PolarHBondContact O-N 3.47Å; E126-I244 HydrophobicContact CG-CD1 3.88Å
127K95.9Very high94.6Very high89 Ų8937.3 Ų37.339%0.38719%0.192SC..Hα-helixtrans-54.2-40176.9177.1172.4177.2169.70112.5E69 H70 A123 F125 Y131E69-K127 PolarHBondContact O-NZ 2.97Å; H70-K127 HydrophobicContact CB-CD 4.02Å; A123-K127 VanDerWaalsContact O-CB 3.31Å; A123-K127 WeakPolarHBondContact O-CB 3.46Å; A123-K127 PolarHBondContact O-N 3.31Å; A123-K127 VanDerWaalsContact O-N 3.17Å; F125-K127 VanDerWaalsContact C-N 3.34Å; F125-K127 PolarHBondContact O-N 3.33Å; K127-Y131 WeakPolarHBondContact O-CB 3.46Å; K127-Y131 PolarHBondContact O-N 2.93Å; K127-Y131 VanDerWaalsContact O-N 3.1Å
128F96.8Very high94Very high5 Ų544.6 Ų44.62%0.02223%0.231CC..Hα-helixtrans-85.2-31.6-176.5-79-108.5000112.6H70 V124 F125 E126 Y131 Q132 K142 A144 V156 A158 V163H70-F128 AromaticContact ND1-CE2 3.87Å; V124-F128 HydrophobicContact CG2-CD2 4.34Å; V124-F128 HydrophobicContact CG2-CE2 4.18Å; V124-F128 WeakPolarHBondContact O-CD2 3.4Å; F125-F128 PolarHBondContact O-N 3.2Å; F125-F128 VanDerWaalsContact O-N 3.1Å; E126-F128 PolarHBondContact O-N 2.92Å; F128-Y131 PolarHBondContact O-N 3.22Å; F128-Q132 WeakPolarHBondContact O-CB 3.23Å; F128-Q132 PolarHBondContact O-N 3.37Å; F128-K142 HydrophobicContact CE1-CB 4.02Å; F128-K142 WeakPolarHBondContact CE1-O 3.48Å; F128-K142 HydrophobicContact CZ-CB 4.48Å; F128-A144 HydrophobicContact CE1-CB 4.34Å; F128-A144 HydrophobicContact CE2-CB 3.66Å; F128-A144 HydrophobicContact CZ-CB 3.45Å; F128-A144 VanDerWaalsContact CZ-CB 3.45Å; F128-A144 VanDerWaalsContact CZ-N 3.33Å; F128-V156 HydrophobicContact CB-CG1 3.71Å; F128-V156 HydrophobicContact CD1-CB 4.32Å; F128-V156 HydrophobicContact CD1-CG1 3.73Å; F128-V156 HydrophobicContact CD2-CG1 4.23Å; F128-V156 HydrophobicContact CE1-CG1 4.4Å; F128-V156 WeakPolarHBondContact CE1-O 3.47Å; F128-V156 HydrophobicContact CG-CB 4.38Å; F128-V156 HydrophobicContact CG-CG1 3.61Å; F128-A158 HydrophobicContact CB-CB 4.19Å; F128-A158 HydrophobicContact CD1-CB 3.74Å; F128-A158 HydrophobicContact CG-CB 4.41Å; F128-V163 HydrophobicContact CB-CG1 4.4Å
129F95.9Very high93.4Very high0 Ų046 Ų460%024%0.243CC..Hα-helixtrans-65.6-45.9171.7-62.4-9.9000110.4F125 E126 Y131 Q132 I133 V163 L229 L234 R240 T243 I244F125-F129 HydrophobicContact CB-CD2 4.44Å; F125-F129 HydrophobicContact CB-CE1 4.29Å; F125-F129 HydrophobicContact CB-CE2 3.91Å; F125-F129 HydrophobicContact CB-CZ 3.82Å; F125-F129 HydrophobicContact CD1-CZ 4.32Å; F125-F129 HydrophobicContact CG-CZ 4.43Å; F125-F129 WeakPolarHBondContact O-CB 3.35Å; F125-F129 VanDerWaalsContact O-CD1 3.26Å; F125-F129 WeakPolarHBondContact O-CD1 3.24Å; F125-F129 WeakPolarHBondContact O-CG 3.4Å; F125-F129 PolarHBondContact O-N 3.43Å; E126-F129 PolarHBondContact O-N 2.62Å; F129-Y131 VanDerWaalsContact C-N 3.34Å; F129-Y131 PolarHBondContact O-N 3.26Å; F129-Q132 PolarHBondContact O-N 2.88Å; F129-I133 WeakPolarHBondContact O-CD1 3.41Å; F129-I133 VanDerWaalsContact O-CG1 3.25Å; F129-I133 WeakPolarHBondContact O-CG1 3.26Å; F129-I133 PolarHBondContact O-N 3.32Å; F129-V163 HydrophobicContact CD1-CB 4.34Å; F129-V163 HydrophobicContact CD1-CG1 4.15Å; F129-V163 HydrophobicContact CD1-CG2 4.09Å; F129-V163 HydrophobicContact CE1-CB 4.41Å; F129-V163 HydrophobicContact CE1-CG1 4.04Å; F129-L229 HydrophobicContact CE1-CD1 3.98Å; F129-L229 HydrophobicContact CZ-CD1 4.18Å; F129-L234 HydrophobicContact CB-CD1 4.42Å; F129-L234 HydrophobicContact CD1-CD1 3.63Å; F129-L234 HydrophobicContact CD1-CD2 3.71Å; F129-L234 HydrophobicContact CD1-CG 4.28Å; F129-L234 HydrophobicContact CD2-CD2 3.85Å; F129-L234 HydrophobicContact CE1-CD1 4.07Å; F129-L234 HydrophobicContact CE1-CD2 3.57Å; F129-L234 HydrophobicContact CE1-CG 4.49Å; F129-L234 HydrophobicContact CE2-CD2 3.68Å; F129-L234 HydrophobicContact CG-CD1 4.07Å; F129-L234 HydrophobicContact CG-CD2 3.85Å; F129-L234 HydrophobicContact CG-CG 4.44Å; F129-L234 HydrophobicContact CZ-CD2 3.55Å; F129-R240 HydrophobicContact CD2-CB 4.19Å; F129-R240 HydrophobicContact CD2-CG 4.02Å; F129-R240 HydrophobicContact CE2-CB 4.46Å; F129-T243 HydrophobicContact CE2-CG2 4.44Å; F129-T243 HydrophobicContact CZ-CG2 3.93Å; F129-I244 HydrophobicContact CE2-CD1 4.1Å; F129-I244 HydrophobicContact CE2-CG1 3.78Å; F129-I244 HydrophobicContact CZ-CG1 4.43Å
130E93.9Very high92.8Very high91 Ų9148.1 Ų48.143%0.42527%0.266SS..Hα-helixtrans-61.5-42.7174-77.3-167.3-153.600112.5E126 Q132 I133 K134E126-E130 WeakPolarHBondContact O-CB 3.35Å; E126-E130 WeakPolarHBondContact O-CG 3.01Å; E126-E130 PolarHBondContact O-N 3.47Å; E130-Q132 VanDerWaalsContact C-N 3.33Å; E130-Q132 PolarHBondContact O-N 2.74Å; E130-I133 PolarHBondContact O-N 3.46Å; E130-K134 WeakPolarHBondContact O-CB 3.18Å; E130-K134 WeakPolarHBondContact O-CG 3.4Å; E130-K134 PolarHBondContact O-N 3.27Å; E130-K134 IonicContact OE2-NZ 2.87Å; E130-K134 PolarHBondContact OE2-NZ 2.82Å
131Y93.8Very high92.3Very high50 Ų5051.2 Ų51.220%0.19629%0.288CS..Hα-helixtrans-58.6-47.3175.9-176.2-97.5000110.9K127 F128 F129 I133 K134 S135 G140 K142 A158K127-Y131 WeakPolarHBondContact O-CB 3.46Å; K127-Y131 PolarHBondContact O-N 2.93Å; K127-Y131 VanDerWaalsContact O-N 3.1Å; F128-Y131 PolarHBondContact O-N 3.22Å; F129-Y131 VanDerWaalsContact C-N 3.34Å; F129-Y131 PolarHBondContact O-N 3.26Å; Y131-I133 PolarHBondContact O-N 2.97Å; Y131-K134 PolarHBondContact O-N 2.74Å; Y131-S135 WeakPolarHBondContact CD1-OG 3.26Å; Y131-S135 VanDerWaalsContact CE1-OG 3.25Å; Y131-S135 WeakPolarHBondContact CE1-OG 3.44Å; Y131-S135 WeakPolarHBondContact O-CB 3.43Å; Y131-S135 PolarHBondContact O-N 2.93Å; Y131-S135 PolarHBondContact O-OG 3.09Å; Y131-G140 WeakPolarHBondContact CE1-O 3.24Å; Y131-G140 PolarHBondContact OH-O 2.88Å; Y131-K142 HydrophobicContact CD1-CB 4.45Å; Y131-K142 HydrophobicContact CD2-CD 3.67Å; Y131-K142 HydrophobicContact CD2-CG 4.38Å; Y131-K142 HydrophobicContact CE1-CB 4.29Å; Y131-K142 HydrophobicContact CE1-CD 4.4Å; Y131-K142 HydrophobicContact CE1-CG 4.08Å; Y131-K142 HydrophobicContact CE2-CD 3.54Å; Y131-K142 HydrophobicContact CE2-CG 3.96Å; Y131-K142 HydrophobicContact CG-CD 4.15Å; Y131-A158 HydrophobicContact CD1-CB 3.65Å; Y131-A158 HydrophobicContact CE1-CB 4.42Å
132Q94.3Very high91.9Very high13 Ų1355.9 Ų55.96%0.06131%0.308CS..Hα-helixtrans-60.5-45.8177.6-176.1-81.2-54.200111.9F128 F129 E130 K134 S135 A158 L159 A160 V163F128-Q132 WeakPolarHBondContact O-CB 3.23Å; F128-Q132 PolarHBondContact O-N 3.37Å; F129-Q132 PolarHBondContact O-N 2.88Å; E130-Q132 VanDerWaalsContact C-N 3.33Å; E130-Q132 PolarHBondContact O-N 2.74Å; Q132-K134 VanDerWaalsContact C-N 3.28Å; Q132-K134 PolarHBondContact O-N 3.03Å; Q132-S135 PolarHBondContact O-N 3.22Å; Q132-S135 VanDerWaalsContact O-N 3.17Å; Q132-A158 HydrophobicContact CB-CB 4.45Å; Q132-L159 VanDerWaalsContact CG-O 3.25Å; Q132-L159 WeakPolarHBondContact CG-O 3.46Å; Q132-A160 PolarHBondContact NE2-O 3.29Å; Q132-V163 HydrophobicContact CB-CG2 3.54Å; Q132-V163 HydrophobicContact CG-CG2 3.87Å
133I91.4Very high91.8Very high87 Ų8760.4 Ų60.445%0.44633%0.325SS..Hα-helixtrans-61.7-37.1-179.8-69.1164.5000111.7F129 E130 Y131F129-I133 WeakPolarHBondContact O-CD1 3.41Å; F129-I133 VanDerWaalsContact O-CG1 3.25Å; F129-I133 WeakPolarHBondContact O-CG1 3.26Å; F129-I133 PolarHBondContact O-N 3.32Å; E130-I133 PolarHBondContact O-N 3.46Å; Y131-I133 PolarHBondContact O-N 2.97Å
134K91.7Very high91.8Very high155 Ų15560.3 Ų60.367%0.67433%0.325SS*.Hα-helixtrans-87-8.8179.6-66167.6-178.51620113.2E130 Y131 Q132E130-K134 WeakPolarHBondContact O-CB 3.18Å; E130-K134 WeakPolarHBondContact O-CG 3.4Å; E130-K134 PolarHBondContact O-N 3.27Å; E130-K134 IonicContact OE2-NZ 2.87Å; E130-K134 PolarHBondContact OE2-NZ 2.82Å; Y131-K134 PolarHBondContact O-N 2.74Å; Q132-K134 VanDerWaalsContact C-N 3.28Å; Q132-K134 PolarHBondContact O-N 3.03Å
135S90.4Very high91.8Very high12 Ų1262.3 Ų62.38%0.08434%0.337CS..  trans-84.9144-176-72.60000112Y131 Q132 S139Y131-S135 WeakPolarHBondContact CD1-OG 3.26Å; Y131-S135 VanDerWaalsContact CE1-OG 3.25Å; Y131-S135 WeakPolarHBondContact CE1-OG 3.44Å; Y131-S135 WeakPolarHBondContact O-CB 3.43Å; Y131-S135 PolarHBondContact O-N 2.93Å; Y131-S135 PolarHBondContact O-OG 3.09Å; Q132-S135 PolarHBondContact O-N 3.22Å; Q132-S135 VanDerWaalsContact O-N 3.17Å; S135-S139 WeakPolarHBondContact CA-OG 3.46Å
136N87.4Confident91.7Very high117 Ų11762.3 Ų62.363%0.62634%0.337SS*.  trans-112.7177.3172-63.9-16.9000109.8D138 S139 A160N136-D138 PolarHBondContact O-N 3.37Å; N136-S139 PolarHBondContact N-OG 3.4Å; N136-S139 VanDerWaalsContact O-CB 3.25Å; N136-S139 WeakPolarHBondContact O-CB 3.42Å; N136-S139 PolarHBondContact O-N 3.44Å; N136-S139 PolarHBondContact O-OG 3.41Å; N136-A160 WeakPolarHBondContact O-CB 3.18Å
137A81.1Confident91.8Very high95 Ų9564 Ų6479%0.78534%0.344SS*.THydrogen-bonded Turntrans-55.1-28.2-178.600000114.2
138D83.9Confident91.8Very high162 Ų16260.1 Ų60.187%0.86633%0.328SS*.THydrogen-bonded Turntrans-88.8-5178.9-53.8-49.1000113.7N136 G140N136-D138 PolarHBondContact O-N 3.37Å; D138-G140 PolarHBondContact O-N 3.38Å
139S84.6Confident91.7Very high46 Ų4663 Ų6332%0.32234%0.338SS..PPolyproline II helixtrans-71129.4177.2-59.50000110.2S135 N136S135-S139 WeakPolarHBondContact CA-OG 3.46Å; N136-S139 PolarHBondContact N-OG 3.4Å; N136-S139 VanDerWaalsContact O-CB 3.25Å; N136-S139 WeakPolarHBondContact O-CB 3.42Å; N136-S139 PolarHBondContact O-N 3.44Å; N136-S139 PolarHBondContact O-OG 3.41Å
140G86.7Confident91.5Very high49 Ų4969.2 Ų69.251%0.50537%0.371SS..PPolyproline II helixtrans-63.6171175.500000112.7Y131 D138Y131-G140 WeakPolarHBondContact CE1-O 3.24Å; Y131-G140 PolarHBondContact OH-O 2.88Å; D138-G140 PolarHBondContact O-N 3.38Å
141S86.7Confident91.5Very high66 Ų6667.6 Ų67.646%0.46237%0.366SS..PPolyproline II helixtrans-84.9140.2173.980.70000111.3Q157 A158 L159S141-Q157 PolarHBondContact OG-NE2 3.27Å; S141-A158 WeakPolarHBondContact CA-O 3.15Å; S141-L159 VanDerWaalsContact CB-CD2 3.46Å
142K89.8Confident91.6Very high107 Ų10765.2 Ų65.247%0.46536%0.356SS..EExtended strand (participates in β ladder)trans-108.8148.3164.5-72.4-171.9180177.10109.7F128 Y131 Q157 A158F128-K142 HydrophobicContact CE1-CB 4.02Å; F128-K142 WeakPolarHBondContact CE1-O 3.48Å; F128-K142 HydrophobicContact CZ-CB 4.48Å; Y131-K142 HydrophobicContact CD1-CB 4.45Å; Y131-K142 HydrophobicContact CD2-CD 3.67Å; Y131-K142 HydrophobicContact CD2-CG 4.38Å; Y131-K142 HydrophobicContact CE1-CB 4.29Å; Y131-K142 HydrophobicContact CE1-CD 4.4Å; Y131-K142 HydrophobicContact CE1-CG 4.08Å; Y131-K142 HydrophobicContact CE2-CD 3.54Å; Y131-K142 HydrophobicContact CE2-CG 3.96Å; Y131-K142 HydrophobicContact CG-CD 4.15Å; K142-Q157 VanDerWaalsContact O-CA 3.29Å; K142-Q157 WeakPolarHBondContact O-CA 3.44Å; K142-Q157 WeakPolarHBondContact O-CG 3.32Å; K142-A158 PolarHBondContact N-O 3.19Å; K142-A158 PolarHBondContact O-N 3.35Å
143R94.7Very high91.7Very high95 Ų9565.3 Ų65.336%0.35836%0.358SS..EExtended strand (participates in β ladder)trans-136140.6178.1-171.2169.161.3-158.80.1111.1V156 Q157 E210 Q212R143-V156 CarbonylContact C-O 3.6Å; R143-V156 VanDerWaalsContact CA-O 3.24Å; R143-V156 WeakPolarHBondContact CA-O 3.45Å; R143-Q157 HydrophobicContact CG-CB 4.47Å; R143-E210 PolarHBondContact NH1-O 3.35Å; R143-Q212 PolarHBondContact NH1-O 3.11Å
144A96.6Very high92Very high1 Ų161.2 Ų61.21%0.00834%0.337CS..EExtended strand (participates in β ladder)trans-113.6147.6167.800000109H70 V124 F128 Y155 V156H70-A144 WeakPolarHBondContact CE1-CB 3.44Å; H70-A144 VanDerWaalsContact NE2-CB 3.35Å; H70-A144 WeakPolarHBondContact NE2-CB 3.37Å; V124-A144 HydrophobicContact CG2-CB 3.62Å; F128-A144 HydrophobicContact CE1-CB 4.34Å; F128-A144 HydrophobicContact CE2-CB 3.66Å; F128-A144 HydrophobicContact CZ-CB 3.45Å; F128-A144 VanDerWaalsContact CZ-CB 3.45Å; F128-A144 VanDerWaalsContact CZ-N 3.33Å; A144-Y155 WeakPolarHBondContact O-CA 3.37Å; A144-V156 HydrophobicContact CB-CB 4.3Å; A144-V156 PolarHBondContact N-O 2.95Å; A144-V156 PolarHBondContact O-N 2.8Å; A144-V156 VanDerWaalsContact O-N 3.08Å
145V97.2Very high92.3Very high42 Ų4254 Ų5426%0.25531%0.305SS..EExtended strand (participates in β ladder)trans-127118.4174-172.90000106.6T153 Y155V145-T153 HydrophobicContact CG1-CG2 3.5Å; V145-T153 VanDerWaalsContact CG1-CG2 3.5Å; V145-Y155 HydrophobicContact CB-CD1 4.35Å; V145-Y155 HydrophobicContact CB-CE1 4.44Å; V145-Y155 HydrophobicContact CG1-CD1 3.98Å; V145-Y155 HydrophobicContact CG1-CE1 3.65Å; V145-Y155 HydrophobicContact CG2-CD1 3.93Å; V145-Y155 HydrophobicContact CG2-CE1 4.14Å
146I97.8Very high92.7Very high0 Ų053.4 Ų53.40%030%0.301CS..EExtended strand (participates in β ladder)trans-120.9112.1-177.6-51.6-61.6000109.2F63 E66 L67 V124 Y148 T153 M154F63-I146 HydrophobicContact CD2-CG2 3.63Å; F63-I146 HydrophobicContact CE2-CG2 4.01Å; F63-I146 HydrophobicContact CG-CG2 4.39Å; E66-I146 HydrophobicContact CB-CD1 3.91Å; E66-I146 VanDerWaalsContact OE2-CA 3.24Å; E66-I146 WeakPolarHBondContact OE2-CA 3.45Å; L67-I146 HydrophobicContact CD2-CD1 4.19Å; L67-I146 HydrophobicContact CD2-CG2 4.43Å; V124-I146 HydrophobicContact CG2-CD1 4.29Å; V124-I146 HydrophobicContact CG2-CG1 4.26Å; I146-Y148 VanDerWaalsContact C-N 3.25Å; I146-Y148 PolarHBondContact O-N 3.25Å; I146-T153 CarbonylContact O-C 3.46Å; I146-T153 WeakPolarHBondContact O-CA 3.42Å; I146-T153 WeakPolarHBondContact O-CG2 3.4Å; I146-M154 HydrophobicContact CB-CB 4.41Å; I146-M154 HydrophobicContact CB-CE 4.08Å; I146-M154 HydrophobicContact CG1-CE 3.94Å; I146-M154 HydrophobicContact CG2-CE 4.41Å; I146-M154 PolarHBondContact N-O 3.31Å; I146-M154 PolarHBondContact O-N 3.38Å
147H97.3Very high93.1Very high61 Ų6149 Ų4928%0.28228%0.277SS..EExtended strand (participates in β ladder)trans-83.269.8176-6293.2000110.1F63 E66 R149 T153 D215F63-H147 WeakPolarHBondContact CB-O 3.29Å; E66-H147 IonicContact OE1-CE1 3.59Å; E66-H147 IonicContact OE1-CG 3.84Å; E66-H147 IonicContact OE1-ND1 3.81Å; E66-H147 PolarHBondContact OE1-ND1 3.17Å; E66-H147 PolarHBondContact OE2-N 2.88Å; E66-H147 IonicContact OE2-ND1 2.75Å; H147-R149 PolarHBondContact O-N 3.45Å; H147-T153 PolarHBondContact CD2-OG1 3.15Å; H147-D215 IonicContact CE1-OD2 3.41Å; H147-D215 IonicContact NE2-OD1 2.94Å; H147-D215 IonicContact NE2-OD2 2.87Å; H147-D215 PolarHBondContact NE2-OD2 3.47Å
148Y95.7Very high93.8Very high9 Ų944.4 Ų44.44%0.03524%0.239CC..EExtended strand (participates in β ladder)trans-68.7-15.1-175.170.1-88.9000113.2D39 F63 I146 E152 T153 M154 F167 R251D39-Y148 HydrophobicContact CB-CD2 4.49Å; F63-Y148 VanDerWaalsContact CD1-CA 3.45Å; F63-Y148 WeakPolarHBondContact CE1-O 3.47Å; I146-Y148 VanDerWaalsContact C-N 3.25Å; I146-Y148 PolarHBondContact O-N 3.25Å; Y148-E152 HydrophobicContact CE1-CB 4.15Å; Y148-E152 HydrophobicContact CE2-CB 4Å; Y148-E152 WeakPolarHBondContact CE2-OE2 3.26Å; Y148-E152 WeakPolarHBondContact OH-CB 3.17Å; Y148-E152 PolarHBondContact OH-OE2 3.3Å; Y148-T153 VanDerWaalsContact CE1-C 3.43Å; Y148-M154 HydrophobicContact CD1-CB 3.63Å; Y148-M154 HydrophobicContact CE1-CB 3.76Å; Y148-F167 HydrophobicContact CE1-CD1 4.28Å; Y148-R251 HydrophobicContact CE2-CB 4.45Å; Y148-R251 HydrophobicContact CE2-CG 4.09Å
149R94.9Very high94.2Very high64 Ų6439.6 Ų39.624%0.24221%0.213CC..EExtended strand (participates in β ladder)trans-142.2173.2166.5-54.7-178.861.869.510.6110.4H147 D151 E152H147-R149 PolarHBondContact O-N 3.45Å; R149-D151 VanDerWaalsContact C-N 3.3Å; R149-D151 PolarHBondContact O-N 3.05Å; R149-E152 HydrophobicContact CB-CB 4.06Å; R149-E152 HydrophobicContact CG-CB 4.47Å; R149-E152 PolarHBondContact N-O 3.29Å; R149-E152 VanDerWaalsContact O-O 3.06Å
150D92.3Very high94.4Very high131 Ų13138.8 Ų38.870%0.70121%0.209SC*.THydrogen-bonded Turntrans-67.1-30.2-179.2-62.2-19.2000113.5K62K62-D150 IonicContact NZ-OD1 3.51Å; K62-D150 PolarHBondContact NZ-OD1 3.11Å; K62-D150 IonicContact NZ-OD2 2.72Å
151D93.4Very high94.7Very high57 Ų5740 Ų4031%0.30520%0.204SC..THydrogen-bonded Turntrans-121.312.7-175.259.3-17.5000112.9R149 T170 K172R149-D151 VanDerWaalsContact C-N 3.3Å; R149-D151 PolarHBondContact O-N 3.05Å; D151-T170 PolarHBondContact O-OG1 3.2Å; D151-K172 WeakPolarHBondContact OD2-CE 3.33Å; D151-K172 IonicContact OD2-NZ 2.66Å
152E95.9Very high95.1Very high1 Ų140.3 Ų40.31%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-143.6141.9-178-59.5-177.9-168.500111.5Y148 R149 S168 R251Y148-E152 HydrophobicContact CE1-CB 4.15Å; Y148-E152 HydrophobicContact CE2-CB 4Å; Y148-E152 WeakPolarHBondContact CE2-OE2 3.26Å; Y148-E152 WeakPolarHBondContact OH-CB 3.17Å; Y148-E152 PolarHBondContact OH-OE2 3.3Å; R149-E152 HydrophobicContact CB-CB 4.06Å; R149-E152 HydrophobicContact CG-CB 4.47Å; R149-E152 PolarHBondContact N-O 3.29Å; R149-E152 VanDerWaalsContact O-O 3.06Å; E152-S168 WeakPolarHBondContact CA-O 3.41Å; E152-S168 VanDerWaalsContact CB-O 3.23Å; E152-S168 WeakPolarHBondContact CB-O 3.4Å; E152-R251 IonicContact OE1-CZ 3.11Å; E152-R251 IonicContact OE1-NE 3.19Å; E152-R251 PolarHBondContact OE1-NE 2.81Å; E152-R251 IonicContact OE1-NH2 3.38Å; E152-R251 PolarHBondContact OE1-NH2 3.06Å; E152-R251 WeakPolarHBondContact OE2-CG 3.38Å; E152-R251 IonicContact OE2-CZ 2.6Å; E152-R251 IonicContact OE2-NE 2.93Å; E152-R251 PolarHBondContact OE2-NE 2.6Å; E152-R251 IonicContact OE2-NH2 3.7Å
153T97.3Very high95.4Very high15 Ų1535.2 Ų35.29%0.09217%0.173CC..EExtended strand (participates in β ladder)trans-136.6140.3-173.4-45.10000110.3V145 I146 H147 Y148 Y155 S168V145-T153 HydrophobicContact CG1-CG2 3.5Å; V145-T153 VanDerWaalsContact CG1-CG2 3.5Å; I146-T153 CarbonylContact O-C 3.46Å; I146-T153 WeakPolarHBondContact O-CA 3.42Å; I146-T153 WeakPolarHBondContact O-CG2 3.4Å; H147-T153 PolarHBondContact CD2-OG1 3.15Å; Y148-T153 VanDerWaalsContact CE1-C 3.43Å; T153-Y155 HydrophobicContact CG2-CD1 4.48Å; T153-Y155 HydrophobicContact CG2-CD2 4.38Å; T153-Y155 HydrophobicContact CG2-CE1 3.88Å; T153-Y155 HydrophobicContact CG2-CE2 3.74Å; T153-Y155 VanDerWaalsContact CG2-CZ 3.46Å; T153-S168 PolarHBondContact N-O 3.38Å; T153-S168 WeakPolarHBondContact O-CB 3.32Å; T153-S168 PolarHBondContact O-N 2.99Å
154M97.7Very high95.6Very high1 Ų131 Ų311%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-110.4130.8172.9179.6-17768.900109.2M121 V124 F125 I146 Y148 V156 V165 I166 F167M121-M154 HydrophobicContact CE-CE 3.67Å; M121-M154 HydrophobicContact CE-SD 4.35Å; V124-M154 HydrophobicContact CG1-CE 3.87Å; F125-M154 HydrophobicContact CE1-CE 4.46Å; F125-M154 HydrophobicContact CE1-SD 4.12Å; F125-M154 HydrophobicContact CE2-CE 4.4Å; F125-M154 HydrophobicContact CZ-CE 3.84Å; F125-M154 HydrophobicContact CZ-SD 3.55Å; F125-M154 VanDerWaalsContact CZ-SD 3.55Å; I146-M154 HydrophobicContact CB-CB 4.41Å; I146-M154 HydrophobicContact CB-CE 4.08Å; I146-M154 HydrophobicContact CG1-CE 3.94Å; I146-M154 HydrophobicContact CG2-CE 4.41Å; I146-M154 PolarHBondContact N-O 3.31Å; I146-M154 PolarHBondContact O-N 3.38Å; Y148-M154 HydrophobicContact CD1-CB 3.63Å; Y148-M154 HydrophobicContact CE1-CB 3.76Å; M154-V156 HydrophobicContact CE-CG2 4.34Å; M154-V165 HydrophobicContact CG-CG1 4.12Å; M154-V165 HydrophobicContact SD-CG1 4.31Å; M154-I166 CarbonylContact C-O 3.54Å; M154-I166 WeakPolarHBondContact CA-O 3.43Å; M154-F167 HydrophobicContact CB-CD1 4.28Å; M154-F167 HydrophobicContact CB-CE1 4.27Å; M154-F167 HydrophobicContact CG-CD1 4.17Å; M154-F167 HydrophobicContact CG-CE1 3.84Å; M154-F167 HydrophobicContact CG-CZ 4.15Å; M154-F167 HydrophobicContact SD-CE1 3.64Å; M154-F167 HydrophobicContact SD-CZ 3.77Å
155Y97.9Very high95.6Very high3 Ų331 Ų311%0.01216%0.158CC..EExtended strand (participates in β ladder)trans-114.7132.3178-51.1-97.1000109A144 V145 T153 V165 I166 L211 T214 A216A144-Y155 WeakPolarHBondContact O-CA 3.37Å; V145-Y155 HydrophobicContact CB-CD1 4.35Å; V145-Y155 HydrophobicContact CB-CE1 4.44Å; V145-Y155 HydrophobicContact CG1-CD1 3.98Å; V145-Y155 HydrophobicContact CG1-CE1 3.65Å; V145-Y155 HydrophobicContact CG2-CD1 3.93Å; V145-Y155 HydrophobicContact CG2-CE1 4.14Å; T153-Y155 HydrophobicContact CG2-CD1 4.48Å; T153-Y155 HydrophobicContact CG2-CD2 4.38Å; T153-Y155 HydrophobicContact CG2-CE1 3.88Å; T153-Y155 HydrophobicContact CG2-CE2 3.74Å; T153-Y155 VanDerWaalsContact CG2-CZ 3.46Å; Y155-V165 CarbonylContact O-C 3.54Å; Y155-V165 VanDerWaalsContact O-CA 3.31Å; Y155-V165 WeakPolarHBondContact O-CA 3.48Å; Y155-I166 HydrophobicContact CD2-CB 4.24Å; Y155-I166 HydrophobicContact CD2-CG2 4.45Å; Y155-I166 PolarHBondContact N-O 3.07Å; Y155-I166 PolarHBondContact O-N 3.12Å; Y155-L211 HydrophobicContact CD1-CD2 3.53Å; Y155-L211 HydrophobicContact CD2-CD1 3.8Å; Y155-L211 HydrophobicContact CD2-CD2 3.74Å; Y155-L211 HydrophobicContact CD2-CG 4.46Å; Y155-L211 HydrophobicContact CE1-CD2 4.03Å; Y155-L211 HydrophobicContact CE2-CD1 3.68Å; Y155-L211 HydrophobicContact CE2-CD2 4.23Å; Y155-L211 HydrophobicContact CG-CD1 4.3Å; Y155-L211 HydrophobicContact CG-CD2 3.37Å; Y155-T214 HydrophobicContact CD1-CG2 4.32Å; Y155-T214 HydrophobicContact CE1-CG2 4.08Å; Y155-A216 WeakPolarHBondContact OH-CA 3.23Å
156V97.7Very high95.6Very high0 Ų029.1 Ų29.10%015%0.146CC..EExtended strand (participates in β ladder)trans-119.8122.6173.6-1740000107.6V124 F125 F128 R143 A144 M154 V163 V165V124-V156 HydrophobicContact CG1-CG2 4.46Å; V124-V156 HydrophobicContact CG2-CB 4.37Å; V124-V156 HydrophobicContact CG2-CG2 4.08Å; F125-V156 HydrophobicContact CD1-CG2 4.33Å; F125-V156 HydrophobicContact CE1-CG2 4.02Å; F128-V156 HydrophobicContact CB-CG1 3.71Å; F128-V156 HydrophobicContact CD1-CB 4.32Å; F128-V156 HydrophobicContact CD1-CG1 3.73Å; F128-V156 HydrophobicContact CD2-CG1 4.23Å; F128-V156 HydrophobicContact CE1-CG1 4.4Å; F128-V156 WeakPolarHBondContact CE1-O 3.47Å; F128-V156 HydrophobicContact CG-CB 4.38Å; F128-V156 HydrophobicContact CG-CG1 3.61Å; R143-V156 CarbonylContact C-O 3.6Å; R143-V156 VanDerWaalsContact CA-O 3.24Å; R143-V156 WeakPolarHBondContact CA-O 3.45Å; A144-V156 HydrophobicContact CB-CB 4.3Å; A144-V156 PolarHBondContact N-O 2.95Å; A144-V156 PolarHBondContact O-N 2.8Å; A144-V156 VanDerWaalsContact O-N 3.08Å; M154-V156 HydrophobicContact CE-CG2 4.34Å; V156-V163 HydrophobicContact CG1-CG1 3.98Å; V156-V165 HydrophobicContact CG1-CG2 4.32Å; V156-V165 HydrophobicContact CG2-CG1 4.4Å; V156-V165 HydrophobicContact CG2-CG2 4.41Å
157Q96Very high95.6Very high23 Ų2329.3 Ų29.311%0.10715%0.147CC..EExtended strand (participates in β ladder)trans-125.2132.7177.8-172178.116.400109.7S141 K142 R143 V163 T164S141-Q157 PolarHBondContact OG-NE2 3.27Å; K142-Q157 VanDerWaalsContact O-CA 3.29Å; K142-Q157 WeakPolarHBondContact O-CA 3.44Å; K142-Q157 WeakPolarHBondContact O-CG 3.32Å; R143-Q157 HydrophobicContact CG-CB 4.47Å; Q157-V163 CarbonylContact O-C 3.54Å; Q157-V163 WeakPolarHBondContact O-CA 3.3Å; Q157-T164 PolarHBondContact N-O 3.25Å; Q157-T164 PolarHBondContact O-N 2.93Å
158A95.1Very high95.6Very high0 Ų026.6 Ų26.60%014%0.135CC..EExtended strand (participates in β ladder)trans-112.9129.817500000110.2F128 Y131 Q132 S141 K142 V163F128-A158 HydrophobicContact CB-CB 4.19Å; F128-A158 HydrophobicContact CD1-CB 3.74Å; F128-A158 HydrophobicContact CG-CB 4.41Å; Y131-A158 HydrophobicContact CD1-CB 3.65Å; Y131-A158 HydrophobicContact CE1-CB 4.42Å; Q132-A158 HydrophobicContact CB-CB 4.45Å; S141-A158 WeakPolarHBondContact CA-O 3.15Å; K142-A158 PolarHBondContact N-O 3.19Å; K142-A158 PolarHBondContact O-N 3.35Å; A158-V163 HydrophobicContact CB-CG2 4.11Å
159L92.5Very high95.5Very high61 Ų6126.2 Ų26.232%0.31913%0.133SC..EExtended strand (participates in β ladder)trans-116.3169.9167.5-65.3173.7000108.2Q132 S141 D161 R162Q132-L159 VanDerWaalsContact CG-O 3.25Å; Q132-L159 WeakPolarHBondContact CG-O 3.46Å; S141-L159 VanDerWaalsContact CB-CD2 3.46Å; L159-D161 VanDerWaalsContact C-N 3.27Å; L159-D161 PolarHBondContact O-N 2.76Å; L159-R162 CarbonylContact C-O 3.58Å; L159-R162 HydrophobicContact CB-CG 4.21Å; L159-R162 HydrophobicContact CD1-CG 4.34Å; L159-R162 PolarHBondContact N-O 3.41Å; L159-R162 PolarHBondContact O-N 3.46Å
160A90.3Very high95.5Very high28 Ų2824.1 Ų24.123%0.23113%0.128CC..THydrogen-bonded Turntrans-59.5-35.7-178.100000113.6Q132 N136Q132-A160 PolarHBondContact NE2-O 3.29Å; N136-A160 WeakPolarHBondContact O-CB 3.18Å
161D92.4Very high95.5Very high74 Ų7418.1 Ų18.140%0.39610%0.095SC..THydrogen-bonded Turntrans-101.1-6.5-173.173.5-37.5000114.3L159 P231L159-D161 VanDerWaalsContact C-N 3.27Å; L159-D161 PolarHBondContact O-N 2.76Å; D161-P231 WeakPolarHBondContact O-CD 3.3Å
162R94.9Very high95.4Very high74 Ų7423.5 Ų23.528%0.27912%0.116SC..EExtended strand (participates in β ladder)trans-164.9158.2-174.268.8-168.269.6-163.32.4113.1L159 V228 L229 F230L159-R162 CarbonylContact C-O 3.58Å; L159-R162 HydrophobicContact CB-CG 4.21Å; L159-R162 HydrophobicContact CD1-CG 4.34Å; L159-R162 PolarHBondContact N-O 3.41Å; L159-R162 PolarHBondContact O-N 3.46Å; R162-V228 HydrophobicContact CB-CG1 4.02Å; R162-V228 HydrophobicContact CG-CG1 4.31Å; R162-L229 CarbonylContact C-O 3.59Å; R162-L229 VanDerWaalsContact CA-O 3.28Å; R162-L229 WeakPolarHBondContact CA-O 3.46Å; R162-F230 HydrophobicContact CB-CD1 4.33Å
163V97Very high95.2Very high0 Ų026.1 Ų26.10%013%0.13CC..EExtended strand (participates in β ladder)trans-113.4128.2162.1-179.50000108.7F128 F129 Q132 V156 Q157 A158 V165 L229 L234F128-V163 HydrophobicContact CB-CG1 4.4Å; F129-V163 HydrophobicContact CD1-CB 4.34Å; F129-V163 HydrophobicContact CD1-CG1 4.15Å; F129-V163 HydrophobicContact CD1-CG2 4.09Å; F129-V163 HydrophobicContact CE1-CB 4.41Å; F129-V163 HydrophobicContact CE1-CG1 4.04Å; Q132-V163 HydrophobicContact CB-CG2 3.54Å; Q132-V163 HydrophobicContact CG-CG2 3.87Å; V156-V163 HydrophobicContact CG1-CG1 3.98Å; Q157-V163 CarbonylContact O-C 3.54Å; Q157-V163 WeakPolarHBondContact O-CA 3.3Å; A158-V163 HydrophobicContact CB-CG2 4.11Å; V163-V165 HydrophobicContact CG1-CG2 4.49Å; V163-L229 HydrophobicContact CB-CB 4.42Å; V163-L229 PolarHBondContact N-O 2.98Å; V163-L229 WeakPolarHBondContact O-CA 3.46Å; V163-L229 VanDerWaalsContact O-CB 3.32Å; V163-L229 WeakPolarHBondContact O-CB 3.43Å; V163-L229 PolarHBondContact O-N 3.41Å; V163-L234 HydrophobicContact CB-CD1 4.08Å; V163-L234 HydrophobicContact CG2-CD1 3.7Å
164T97.2Very high94.9Very high7 Ų730.1 Ų30.14%0.04316%0.156CC..EExtended strand (participates in β ladder)trans-107.3126.8179-54.80000109.2Q157 I166 T226 F227 V228Q157-T164 PolarHBondContact N-O 3.25Å; Q157-T164 PolarHBondContact O-N 2.93Å; T164-I166 HydrophobicContact CG2-CD1 4.23Å; T164-I166 HydrophobicContact CG2-CG1 3.92Å; T164-T226 HydrophobicContact CG2-CG2 3.35Å; T164-F227 CarbonylContact C-O 3.54Å; T164-F227 VanDerWaalsContact CA-O 3.29Å; T164-F227 WeakPolarHBondContact CA-O 3.42Å; T164-V228 HydrophobicContact CG2-CG2 4.46Å
165V98Very high94.6Very high0 Ų034.4 Ų34.40%018%0.179CC..EExtended strand (participates in β ladder)trans-116.1120.9174.3-1760000108.5F125 M154 Y155 V156 V163 F167 T226 F227 L229 I247F125-V165 HydrophobicContact CD1-CG2 4.43Å; F125-V165 HydrophobicContact CE1-CG1 4.12Å; F125-V165 HydrophobicContact CE1-CG2 4.09Å; M154-V165 HydrophobicContact CG-CG1 4.12Å; M154-V165 HydrophobicContact SD-CG1 4.31Å; Y155-V165 CarbonylContact O-C 3.54Å; Y155-V165 VanDerWaalsContact O-CA 3.31Å; Y155-V165 WeakPolarHBondContact O-CA 3.48Å; V156-V165 HydrophobicContact CG1-CG2 4.32Å; V156-V165 HydrophobicContact CG2-CG1 4.4Å; V156-V165 HydrophobicContact CG2-CG2 4.41Å; V163-V165 HydrophobicContact CG1-CG2 4.49Å; V165-F167 HydrophobicContact CG1-CD2 4.15Å; V165-F167 HydrophobicContact CG1-CE2 3.49Å; V165-F167 VanDerWaalsContact CG1-CE2 3.49Å; V165-F167 HydrophobicContact CG1-CZ 3.92Å; V165-T226 CarbonylContact O-C 3.53Å; V165-T226 WeakPolarHBondContact O-CA 3.47Å; V165-F227 PolarHBondContact N-O 2.93Å; V165-F227 PolarHBondContact O-N 2.94Å; V165-L229 HydrophobicContact CG2-CD1 4.15Å; V165-I247 HydrophobicContact CB-CD1 3.7Å; V165-I247 HydrophobicContact CG1-CD1 3.96Å; V165-I247 HydrophobicContact CG1-CG1 4.24Å; V165-I247 HydrophobicContact CG2-CD1 3.71Å
166I97.6Very high94.5Very high2 Ų235.2 Ų35.21%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-115.7123.9-177.3-51.8167.5000108.5M154 Y155 T164 P208 E210 L211 Y224 I225 T226M154-I166 CarbonylContact C-O 3.54Å; M154-I166 WeakPolarHBondContact CA-O 3.43Å; Y155-I166 HydrophobicContact CD2-CB 4.24Å; Y155-I166 HydrophobicContact CD2-CG2 4.45Å; Y155-I166 PolarHBondContact N-O 3.07Å; Y155-I166 PolarHBondContact O-N 3.12Å; T164-I166 HydrophobicContact CG2-CD1 4.23Å; T164-I166 HydrophobicContact CG2-CG1 3.92Å; I166-P208 HydrophobicContact CD1-CG 4.07Å; I166-P208 HydrophobicContact CG2-CG 4.31Å; I166-E210 HydrophobicContact CD1-CB 3.96Å; I166-L211 HydrophobicContact CD1-CD1 4.5Å; I166-L211 HydrophobicContact CD1-CD2 3.65Å; I166-L211 HydrophobicContact CD1-CG 3.94Å; I166-L211 HydrophobicContact CG2-CD1 4.03Å; I166-Y224 HydrophobicContact CG2-CD1 4.13Å; I166-I225 CarbonylContact C-O 3.51Å; I166-I225 WeakPolarHBondContact CA-O 3.25Å; I166-T226 HydrophobicContact CG1-CG2 3.86Å
167F97.3Very high94.2Very high5 Ų536.1 Ų36.12%0.02219%0.189CC..EExtended strand (participates in β ladder)trans-100.8122.6171-66.9-93.3000109.2Y148 M154 V165 Y224 I225 I247 L250Y148-F167 HydrophobicContact CE1-CD1 4.28Å; M154-F167 HydrophobicContact CB-CD1 4.28Å; M154-F167 HydrophobicContact CB-CE1 4.27Å; M154-F167 HydrophobicContact CG-CD1 4.17Å; M154-F167 HydrophobicContact CG-CE1 3.84Å; M154-F167 HydrophobicContact CG-CZ 4.15Å; M154-F167 HydrophobicContact SD-CE1 3.64Å; M154-F167 HydrophobicContact SD-CZ 3.77Å; V165-F167 HydrophobicContact CG1-CD2 4.15Å; V165-F167 HydrophobicContact CG1-CE2 3.49Å; V165-F167 VanDerWaalsContact CG1-CE2 3.49Å; V165-F167 HydrophobicContact CG1-CZ 3.92Å; F167-Y224 CarbonylContact O-C 3.57Å; F167-Y224 VanDerWaalsContact O-CA 3.31Å; F167-Y224 WeakPolarHBondContact O-CA 3.49Å; F167-I225 HydrophobicContact CB-CB 4.46Å; F167-I225 PolarHBondContact N-O 2.84Å; F167-I225 PolarHBondContact O-N 2.61Å; F167-I247 HydrophobicContact CE2-CG1 3.88Å; F167-I247 HydrophobicContact CZ-CG1 4.1Å; F167-I247 WeakPolarHBondContact CZ-O 3.39Å; F167-L250 HydrophobicContact CB-CD2 4.45Å; F167-L250 HydrophobicContact CD1-CD2 4.45Å; F167-L250 HydrophobicContact CD2-CD2 3.29Å; F167-L250 HydrophobicContact CE2-CB 4.33Å; F167-L250 HydrophobicContact CE2-CD2 3.48Å; F167-L250 VanDerWaalsContact CE2-CD2 3.48Å; F167-L250 HydrophobicContact CG-CD2 3.82Å; F167-L250 HydrophobicContact CZ-CB 4.27Å; F167-L250 HydrophobicContact CZ-CD2 4.16Å
168S96.5Very high94Very high4 Ų440.4 Ų40.43%0.02821%0.212CC..EExtended strand (participates in β ladder)trans-89.7104.9163.3-1790000107.7E152 T153 V222E152-S168 WeakPolarHBondContact CA-O 3.41Å; E152-S168 VanDerWaalsContact CB-O 3.23Å; E152-S168 WeakPolarHBondContact CB-O 3.4Å; T153-S168 PolarHBondContact N-O 3.38Å; T153-S168 WeakPolarHBondContact O-CB 3.32Å; T153-S168 PolarHBondContact O-N 2.99Å; S168-V222 WeakPolarHBondContact OG-CG1 3.3Å
169T94.2Very high93.9Very high1 Ų142 Ų421%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-115135.3-177-57.40000110.5F171 A223 R251 H255T169-F171 HydrophobicContact CG2-CE2 4.24Å; T169-F171 HydrophobicContact CG2-CZ 4.28Å; T169-A223 PolarHBondContact N-O 3.12Å; T169-A223 PolarHBondContact O-N 3.29Å; T169-R251 HydrophobicContact CG2-CG 4.48Å; T169-H255 WeakPolarHBondContact CG2-NE2 3.31Å
170T93.8Very high93.9Very high20 Ų2039 Ų3912%0.12320%0.204CC..EExtended strand (participates in β ladder)trans-101.9128.3-176.7-64.70000111.1D151 S221D151-T170 PolarHBondContact O-OG1 3.2Å; T170-S221 CarbonylContact C-O 3.57Å; T170-S221 WeakPolarHBondContact CA-O 3.39Å
171F93.1Very high94Very high4 Ų440.7 Ų40.72%0.01821%0.206CC..  trans-105.5108.9174.8-64.8-86.8000109.7T169 D176 L177 S221 A223 L254 I258T169-F171 HydrophobicContact CG2-CE2 4.24Å; T169-F171 HydrophobicContact CG2-CZ 4.28Å; F171-D176 HydrophobicContact CD1-CB 4.29Å; F171-L177 HydrophobicContact CB-CB 3.77Å; F171-L177 HydrophobicContact CB-CD1 4.14Å; F171-L177 HydrophobicContact CB-CG 4.49Å; F171-L177 HydrophobicContact CD2-CD1 3.66Å; F171-L177 HydrophobicContact CE2-CD1 4.33Å; F171-L177 HydrophobicContact CG-CB 4.1Å; F171-L177 HydrophobicContact CG-CD1 3.97Å; F171-S221 PolarHBondContact N-O 3.34Å; F171-S221 WeakPolarHBondContact O-CB 3.34Å; F171-A223 HydrophobicContact CD2-CB 4.26Å; F171-A223 HydrophobicContact CE2-CB 3.82Å; F171-L254 HydrophobicContact CZ-CD2 4.14Å; F171-I258 HydrophobicContact CE1-CD1 3.57Å; F171-I258 HydrophobicContact CZ-CD1 4.22Å
172K90.6Very high93.9Very high170 Ų17041.1 Ų41.174%0.73921%0.211SC*.SBendtrans-76.7-27.9179.7-62.3-175.3179.3-176.20112.9D151D151-K172 WeakPolarHBondContact OD2-CE 3.33Å; D151-K172 IonicContact OD2-NZ 2.66Å
173D92Very high93.7Very high57 Ų5739.5 Ų39.531%0.30521%0.206SC..SBendtrans-104.2123.2179.3-171.8-34.9000109.7D175 D176 L177 K262D173-D175 PolarHBondContact O-N 3.18Å; D173-D175 WeakPolarHBondContact OD1-CB 3.2Å; D173-D175 PolarHBondContact OD1-N 3.11Å; D173-D176 HydrophobicContact CB-CB 4.02Å; D173-D176 WeakPolarHBondContact O-CB 3.33Å; D173-D176 PolarHBondContact O-N 2.91Å; D173-D176 VanDerWaalsContact O-N 3.12Å; D173-L177 PolarHBondContact O-N 3.15Å; D173-K262 IonicContact OD1-NZ 3.5Å; D173-K262 IonicContact OD2-NZ 3.18Å; D173-K262 PolarHBondContact OD2-NZ 3.38Å
174P91.1Very high93.4Very high99 Ų9939.5 Ų39.564%0.64321%0.207SC*.Hα-helixtrans-57.1-32.2176.7-25.334.7000114.3L177 L178P174-L177 WeakPolarHBondContact O-CB 3.17Å; P174-L177 PolarHBondContact O-N 3.18Å; P174-L178 PolarHBondContact O-N 3.4Å
175D92.4Very high93.1Very high90 Ų9044.6 Ų44.648%0.48123%0.23SC..Hα-helixtrans-68.9-40.4176.9-67-21.8000110.8D173 L177 L178 I179 K262D173-D175 PolarHBondContact O-N 3.18Å; D173-D175 WeakPolarHBondContact OD1-CB 3.2Å; D173-D175 PolarHBondContact OD1-N 3.11Å; D175-L177 VanDerWaalsContact C-N 3.29Å; D175-L177 PolarHBondContact O-N 3.33Å; D175-L178 PolarHBondContact O-N 2.79Å; D175-I179 WeakPolarHBondContact O-CG1 3.23Å; D175-I179 PolarHBondContact O-N 3.01Å; D175-K262 IonicContact OD2-NZ 3.9Å
176D94Very high92.8Very high20 Ų2049 Ų4911%0.10725%0.251CS..Hα-helixtrans-65.7-36.9177.4-7214.1000110.3F171 D173 G180 I258 K262F171-D176 HydrophobicContact CD1-CB 4.29Å; D173-D176 HydrophobicContact CB-CB 4.02Å; D173-D176 WeakPolarHBondContact O-CB 3.33Å; D173-D176 PolarHBondContact O-N 2.91Å; D173-D176 VanDerWaalsContact O-N 3.12Å; D176-G180 WeakPolarHBondContact O-CA 3.23Å; D176-G180 PolarHBondContact O-N 3.21Å; D176-I258 HydrophobicContact CB-CG2 3.82Å; D176-K262 WeakPolarHBondContact OD1-CD 3.33Å; D176-K262 IonicContact OD1-NZ 3.74Å; D176-K262 PolarHBondContact OD1-NZ 3.5Å
177L91.9Very high92.4Very high20 Ų2051.2 Ų51.211%0.10526%0.26CS..Hα-helixtrans-63.1-42.8172.717765.2000111.7F171 D173 P174 D175 G180 K181F171-L177 HydrophobicContact CB-CB 3.77Å; F171-L177 HydrophobicContact CB-CD1 4.14Å; F171-L177 HydrophobicContact CB-CG 4.49Å; F171-L177 HydrophobicContact CD2-CD1 3.66Å; F171-L177 HydrophobicContact CE2-CD1 4.33Å; F171-L177 HydrophobicContact CG-CB 4.1Å; F171-L177 HydrophobicContact CG-CD1 3.97Å; D173-L177 PolarHBondContact O-N 3.15Å; P174-L177 WeakPolarHBondContact O-CB 3.17Å; P174-L177 PolarHBondContact O-N 3.18Å; D175-L177 VanDerWaalsContact C-N 3.29Å; D175-L177 PolarHBondContact O-N 3.33Å; L177-G180 PolarHBondContact O-N 3.06Å; L177-K181 WeakPolarHBondContact O-CG 3.48Å; L177-K181 PolarHBondContact O-N 3.07Å
178L91.9Very high92.1Very high113 Ų11353.7 Ų53.759%0.59228%0.276SS*.Hα-helixtrans-64.4-47178.3-179.264.9000111.6P174 D175 G180 K181 V182P174-L178 PolarHBondContact O-N 3.4Å; D175-L178 PolarHBondContact O-N 2.79Å; L178-G180 VanDerWaalsContact C-N 3.3Å; L178-G180 PolarHBondContact O-N 3.45Å; L178-K181 WeakPolarHBondContact O-CB 3.44Å; L178-K181 PolarHBondContact O-N 3.48Å; L178-V182 PolarHBondContact O-N 2.73Å
179I92.9Very high91.9Very high32 Ų3256.7 Ų56.716%0.16429%0.289CS..Hα-helixtrans-63.4-40.8175-65.2169.4000110D175 K181 V182 F183 I258 K262 M265D175-I179 WeakPolarHBondContact O-CG1 3.23Å; D175-I179 PolarHBondContact O-N 3.01Å; I179-K181 VanDerWaalsContact C-N 3.32Å; I179-K181 PolarHBondContact O-N 3.41Å; I179-V182 PolarHBondContact O-N 2.91Å; I179-F183 PolarHBondContact O-N 3.28Å; I179-I258 HydrophobicContact CB-CG2 4.22Å; I179-I258 HydrophobicContact CG2-CB 4.45Å; I179-I258 HydrophobicContact CG2-CG1 4.3Å; I179-I258 HydrophobicContact CG2-CG2 4.09Å; I179-K262 HydrophobicContact CD1-CB 3.72Å; I179-K262 HydrophobicContact CD1-CD 4.46Å; I179-K262 HydrophobicContact CD1-CG 4.23Å; I179-M265 HydrophobicContact CD1-SD 4.42Å
180G92.5Very high91.7Very high0 Ų059 Ų590%030%0.303CS..Hα-helixtrans-59.6-38.7176.300000113D176 L177 L178 F183 M184D176-G180 WeakPolarHBondContact O-CA 3.23Å; D176-G180 PolarHBondContact O-N 3.21Å; L177-G180 PolarHBondContact O-N 3.06Å; L178-G180 VanDerWaalsContact C-N 3.3Å; L178-G180 PolarHBondContact O-N 3.45Å; G180-F183 PolarHBondContact O-N 3.35Å; G180-M184 WeakPolarHBondContact O-CB 3.37Å; G180-M184 VanDerWaalsContact O-CG 3.25Å; G180-M184 WeakPolarHBondContact O-CG 3.42Å; G180-M184 PolarHBondContact O-N 3.34Å
181K91.8Very high91.3Very high63 Ų6362.2 Ų62.227%0.27431%0.313SS..Hα-helixtrans-59.7-46.9173.4-78.4173.2-179.6174.80111.8L177 L178 I179 F183 M184 Q185 Y202 H204L177-K181 WeakPolarHBondContact O-CG 3.48Å; L177-K181 PolarHBondContact O-N 3.07Å; L178-K181 WeakPolarHBondContact O-CB 3.44Å; L178-K181 PolarHBondContact O-N 3.48Å; I179-K181 VanDerWaalsContact C-N 3.32Å; I179-K181 PolarHBondContact O-N 3.41Å; K181-F183 VanDerWaalsContact C-N 3.35Å; K181-M184 PolarHBondContact O-N 2.93Å; K181-Q185 VanDerWaalsContact O-CG 3.31Å; K181-Q185 WeakPolarHBondContact O-CG 3.25Å; K181-Q185 PolarHBondContact O-N 3.49Å; K181-Y202 HydrophobicContact CG-CE1 3.96Å; K181-Y202 VanDerWaalsContact CG-OH 3.23Å; K181-Y202 WeakPolarHBondContact CG-OH 3.48Å; K181-H204 PolarHBondContact NZ-CD2 2.93Å; K181-H204 PolarHBondContact NZ-NE2 2.79Å; K181-H204 VanDerWaalsContact NZ-NE2 3.13Å
182V91.5Very high91Very high83 Ų8371.6 Ų71.650%0.50335%0.348SS..Hα-helixtrans-63-43.6177.3178.70000110.8L178 I179 M184 Q185 E186L178-V182 PolarHBondContact O-N 2.73Å; I179-V182 PolarHBondContact O-N 2.91Å; V182-M184 PolarHBondContact O-N 3.31Å; V182-Q185 WeakPolarHBondContact O-CB 3.42Å; V182-Q185 PolarHBondContact O-N 2.96Å; V182-E186 PolarHBondContact O-N 2.88Å
183F90.2Very high91Very high39 Ų3972.1 Ų72.117%0.17135%0.346CS..Hα-helixtrans-62.7-42.6178.3-163.6-93000111.9I179 G180 K181 E186 F187 Y253 L254 H257I179-F183 PolarHBondContact O-N 3.28Å; G180-F183 PolarHBondContact O-N 3.35Å; K181-F183 VanDerWaalsContact C-N 3.35Å; F183-E186 PolarHBondContact O-N 3.44Å; F183-F187 HydrophobicContact CD1-CD2 4.08Å; F183-F187 AromaticContact CD1-CE2 3.8Å; F183-F187 HydrophobicContact CD1-CE2 3.8Å; F183-F187 AromaticContact CE1-CD2 3.95Å; F183-F187 HydrophobicContact CE1-CD2 3.95Å; F183-F187 AromaticContact CE1-CE2 3.2Å; F183-F187 HydrophobicContact CE1-CE2 3.2Å; F183-F187 AromaticContact CE1-CZ 3.79Å; F183-F187 HydrophobicContact CE1-CZ 3.79Å; F183-F187 AromaticContact CZ-CE2 3.72Å; F183-F187 HydrophobicContact CZ-CE2 3.72Å; F183-F187 HydrophobicContact CZ-CZ 4.32Å; F183-F187 WeakPolarHBondContact O-CD2 3.36Å; F183-F187 PolarHBondContact O-N 3.31Å; F183-Y253 AromaticContact CE1-CE1 3.84Å; F183-Y253 HydrophobicContact CE1-CE1 3.84Å; F183-Y253 AromaticContact CZ-CE1 3.76Å; F183-Y253 HydrophobicContact CZ-CE1 3.76Å; F183-L254 HydrophobicContact CD1-CD1 3.4Å; F183-L254 VanDerWaalsContact CD1-CD1 3.4Å; F183-L254 HydrophobicContact CE1-CD1 3.77Å; F183-L254 HydrophobicContact CG-CD1 4.24Å; F183-H257 HydrophobicContact CE2-CB 3.96Å; F183-H257 HydrophobicContact CZ-CB 4.04Å
184M91.5Very high90.8Very high1 Ų174.1 Ų74.11%0.00536%0.356CS..Hα-helixtrans-69.4-32.7177-71.5-67.7103.200113G180 K181 V182 E186 F187 T188 Y202 I225 L254G180-M184 WeakPolarHBondContact O-CB 3.37Å; G180-M184 VanDerWaalsContact O-CG 3.25Å; G180-M184 WeakPolarHBondContact O-CG 3.42Å; G180-M184 PolarHBondContact O-N 3.34Å; K181-M184 PolarHBondContact O-N 2.93Å; V182-M184 PolarHBondContact O-N 3.31Å; M184-E186 VanDerWaalsContact C-N 3.35Å; M184-E186 PolarHBondContact O-N 2.89Å; M184-F187 HydrophobicContact CE-CD1 4.46Å; M184-F187 HydrophobicContact CE-CD2 4.15Å; M184-F187 HydrophobicContact CE-CG 4.11Å; M184-F187 WeakPolarHBondContact O-CB 3.36Å; M184-F187 PolarHBondContact O-N 3.1Å; M184-F187 VanDerWaalsContact O-N 3.14Å; M184-T188 WeakPolarHBondContact O-CG2 3.33Å; M184-T188 PolarHBondContact O-N 2.79Å; M184-Y202 HydrophobicContact CB-CD1 4.35Å; M184-Y202 HydrophobicContact CB-CD2 3.45Å; M184-Y202 VanDerWaalsContact CB-CD2 3.45Å; M184-Y202 HydrophobicContact CB-CE2 3.86Å; M184-Y202 HydrophobicContact CB-CG 3.71Å; M184-Y202 HydrophobicContact CG-CD2 3.46Å; M184-Y202 VanDerWaalsContact CG-CD2 3.46Å; M184-Y202 HydrophobicContact CG-CE2 3.64Å; M184-Y202 HydrophobicContact CG-CG 4.25Å; M184-Y202 HydrophobicContact SD-CD2 4.18Å; M184-I225 HydrophobicContact CE-CD1 4.39Å; M184-I225 HydrophobicContact CG-CD1 4.5Å; M184-I225 HydrophobicContact SD-CB 4.33Å; M184-I225 HydrophobicContact SD-CD1 3.58Å; M184-I225 VanDerWaalsContact SD-CD1 3.58Å; M184-I225 HydrophobicContact SD-CG1 3.69Å; M184-I225 HydrophobicContact SD-CG2 3.67Å; M184-L254 HydrophobicContact CE-CD1 3.58Å; M184-L254 HydrophobicContact CE-CD2 4.14Å; M184-L254 HydrophobicContact CE-CG 4.48Å
185Q91Very high90.7Very high113 Ų11374.5 Ų74.553%0.52835%0.353SS..Hα-helixtrans-57.5-47172.4-78.3172.1-22.500111.3K181 V182 F187 T188 E189K181-Q185 VanDerWaalsContact O-CG 3.31Å; K181-Q185 WeakPolarHBondContact O-CG 3.25Å; K181-Q185 PolarHBondContact O-N 3.49Å; V182-Q185 WeakPolarHBondContact O-CB 3.42Å; V182-Q185 PolarHBondContact O-N 2.96Å; Q185-F187 VanDerWaalsContact C-N 3.27Å; Q185-F187 PolarHBondContact O-N 3.23Å; Q185-T188 PolarHBondContact O-N 2.72Å; Q185-T188 VanDerWaalsContact O-N 3.11Å; Q185-T188 PolarHBondContact O-OG1 3.02Å; Q185-E189 WeakPolarHBondContact O-CG 3.45Å; Q185-E189 PolarHBondContact O-N 3.49Å
186E91Very high90.6Very high94 Ų9479.7 Ų79.744%0.43937%0.365SS..Hα-helixtrans-59.9-36.2175.8-70.1-64.6141.400112.5V182 F183 M184 E189 V190 R193V182-E186 PolarHBondContact O-N 2.88Å; F183-E186 PolarHBondContact O-N 3.44Å; M184-E186 VanDerWaalsContact C-N 3.35Å; M184-E186 PolarHBondContact O-N 2.89Å; E186-E189 PolarHBondContact O-N 3.05Å; E186-V190 PolarHBondContact O-N 3.28Å; E186-R193 IonicContact OE2-CZ 3.71Å; E186-R193 IonicContact OE2-NH1 3.16Å; E186-R193 PolarHBondContact OE2-NH1 3.43Å; E186-R193 VanDerWaalsContact OE2-NH1 3.16Å; E186-R193 IonicContact OE2-NH2 3.36Å; E186-R193 PolarHBondContact OE2-NH2 3.3Å
187F89.8Confident90.6Very high47 Ų4779.2 Ų79.221%0.20636%0.364CS..Hα-helixtrans-65.9-43.2174.6-87.1-116.1000112F183 M184 Q185 E189 V190 V200 F227 Y253F183-F187 HydrophobicContact CD1-CD2 4.08Å; F183-F187 AromaticContact CD1-CE2 3.8Å; F183-F187 HydrophobicContact CD1-CE2 3.8Å; F183-F187 AromaticContact CE1-CD2 3.95Å; F183-F187 HydrophobicContact CE1-CD2 3.95Å; F183-F187 AromaticContact CE1-CE2 3.2Å; F183-F187 HydrophobicContact CE1-CE2 3.2Å; F183-F187 AromaticContact CE1-CZ 3.79Å; F183-F187 HydrophobicContact CE1-CZ 3.79Å; F183-F187 AromaticContact CZ-CE2 3.72Å; F183-F187 HydrophobicContact CZ-CE2 3.72Å; F183-F187 HydrophobicContact CZ-CZ 4.32Å; F183-F187 WeakPolarHBondContact O-CD2 3.36Å; F183-F187 PolarHBondContact O-N 3.31Å; M184-F187 HydrophobicContact CE-CD1 4.46Å; M184-F187 HydrophobicContact CE-CD2 4.15Å; M184-F187 HydrophobicContact CE-CG 4.11Å; M184-F187 WeakPolarHBondContact O-CB 3.36Å; M184-F187 PolarHBondContact O-N 3.1Å; M184-F187 VanDerWaalsContact O-N 3.14Å; Q185-F187 VanDerWaalsContact C-N 3.27Å; Q185-F187 PolarHBondContact O-N 3.23Å; F187-E189 PolarHBondContact O-N 3.21Å; F187-V190 WeakPolarHBondContact O-CB 3.49Å; F187-V190 WeakPolarHBondContact O-CG1 3.42Å; F187-V190 PolarHBondContact O-N 2.77Å; F187-V200 HydrophobicContact CB-CB 4.38Å; F187-V200 HydrophobicContact CB-CG1 4.13Å; F187-V200 HydrophobicContact CD1-CG2 4.49Å; F187-F227 HydrophobicContact CD1-CZ 4.12Å; F187-F227 HydrophobicContact CE1-CZ 4.33Å; F187-Y253 AromaticContact CZ-CE1 3.84Å; F187-Y253 HydrophobicContact CZ-CE1 3.84Å
188T90.8Very high90.7Very high58 Ų5880 Ų8036%0.35637%0.371SS..Hα-helixtrans-65.7-28.1177.962.10000112.6M184 Q185 V200M184-T188 WeakPolarHBondContact O-CG2 3.33Å; M184-T188 PolarHBondContact O-N 2.79Å; Q185-T188 PolarHBondContact O-N 2.72Å; Q185-T188 VanDerWaalsContact O-N 3.11Å; Q185-T188 PolarHBondContact O-OG1 3.02Å; T188-V200 WeakPolarHBondContact CG2-O 3.23Å
189E92.3Very high90.9Very high67 Ų6777.5 Ų77.531%0.31336%0.356SS..Hα-helixtrans-86.2-7.8179-65-159.2155.900114.4Q185 E186 F187 R191 R192Q185-E189 WeakPolarHBondContact O-CG 3.45Å; Q185-E189 PolarHBondContact O-N 3.49Å; E186-E189 PolarHBondContact O-N 3.05Å; F187-E189 PolarHBondContact O-N 3.21Å; E189-R191 PolarHBondContact O-N 3.12Å; E189-R191 VanDerWaalsContact O-N 3.08Å; E189-R192 WeakPolarHBondContact O-CB 3.34Å; E189-R192 PolarHBondContact O-N 3.45Å; E189-R192 IonicContact OE1-CZ 3.68Å; E189-R192 IonicContact OE1-NH1 2.78Å; E189-R192 PolarHBondContact OE1-NH1 3.12Å; E189-R192 IonicContact OE2-NH1 3.61Å
190V90Very high91Very high48 Ų4876.4 Ų76.429%0.29135%0.35SS..G310 helixtrans-54.5-36.9-172.675.50000113.1E186 F187 R192 R193 L194 A197E186-V190 PolarHBondContact O-N 3.28Å; F187-V190 WeakPolarHBondContact O-CB 3.49Å; F187-V190 WeakPolarHBondContact O-CG1 3.42Å; F187-V190 PolarHBondContact O-N 2.77Å; V190-R192 PolarHBondContact O-N 3.43Å; V190-R193 PolarHBondContact O-N 2.71Å; V190-L194 PolarHBondContact O-N 3.33Å; V190-A197 HydrophobicContact CG1-CB 3.87Å; V190-A197 HydrophobicContact CG2-CB 4.35Å
191R85.8Confident91.1Very high88 Ų8880 Ų8033%0.33237%0.369SS..G310 helixtrans-65.4-21-179.4-75.8-167.467.3-157.8-3.8113.8E189 R193 L194 A197E189-R191 PolarHBondContact O-N 3.12Å; E189-R191 VanDerWaalsContact O-N 3.08Å; R191-R193 PolarHBondContact O-N 3.17Å; R191-L194 WeakPolarHBondContact CA-O 3.41Å; R191-A197 HydrophobicContact CG-CB 4.27Å
192R87Confident91.2Very high201 Ų20179.5 Ų79.576%0.75837%0.366SS*.G310 helixtrans-67.3-26.5172.2-64.9-176.7178.3156.73.6112E189 V190E189-R192 WeakPolarHBondContact O-CB 3.34Å; E189-R192 PolarHBondContact O-N 3.45Å; E189-R192 IonicContact OE1-CZ 3.68Å; E189-R192 IonicContact OE1-NH1 2.78Å; E189-R192 PolarHBondContact OE1-NH1 3.12Å; E189-R192 IonicContact OE2-NH1 3.61Å; V190-R192 PolarHBondContact O-N 3.43Å
193R89.2Confident91.3Very high181 Ų18177.4 Ų77.468%0.68336%0.355SS*.THydrogen-bonded Turntrans-103.9-30.7-178.6-55.7-178.9-171151.28.2112.1E186 V190 R191E186-R193 IonicContact OE2-CZ 3.71Å; E186-R193 IonicContact OE2-NH1 3.16Å; E186-R193 PolarHBondContact OE2-NH1 3.43Å; E186-R193 VanDerWaalsContact OE2-NH1 3.16Å; E186-R193 IonicContact OE2-NH2 3.36Å; E186-R193 PolarHBondContact OE2-NH2 3.3Å; V190-R193 PolarHBondContact O-N 2.71Å; R191-R193 PolarHBondContact O-N 3.17Å
194L89.5Confident91.5Very high99 Ų9978.3 Ų78.352%0.51836%0.36SS..  trans-13395.8-177.4-177.160.9000110.9V190 R191 R196 A197V190-L194 PolarHBondContact O-N 3.33Å; R191-L194 WeakPolarHBondContact CA-O 3.41Å; L194-R196 PolarHBondContact O-N 3.18Å; L194-A197 HydrophobicContact CB-CB 4.17Å; L194-A197 HydrophobicContact CD2-CB 3.97Å; L194-A197 HydrophobicContact CG-CB 3.97Å; L194-A197 VanDerWaalsContact O-CB 3.29Å; L194-A197 WeakPolarHBondContact O-CB 3.33Å; L194-A197 PolarHBondContact O-N 3.46Å; L194-A197 VanDerWaalsContact O-N 3.07Å
195D87.7Confident91.6Very high108 Ų10884.1 Ų84.158%0.57838%0.381SS*.THydrogen-bonded Turntrans-58.7-34.2-175.6178.648.1000113.5A197D195-A197 VanDerWaalsContact C-N 3.28Å; D195-A197 PolarHBondContact O-N 3.26Å
196R91.4Very high91.8Very high199 Ų19982.4 Ų82.475%0.75138%0.379SS*.THydrogen-bonded Turntrans-81.92.9-179.6-63.1-174.1-179.9-177.50.5114.4L194 H233L194-R196 PolarHBondContact O-N 3.18Å; R196-H233 PolarHBondContact O-NE2 3.45Å; R196-H233 VanDerWaalsContact O-NE2 3.12Å
197A92.9Very high92Very high9 Ų979.2 Ų79.27%0.07437%0.366CS..SBendtrans-74.3151.8178.200000111.9V190 R191 L194 D195V190-A197 HydrophobicContact CG1-CB 3.87Å; V190-A197 HydrophobicContact CG2-CB 4.35Å; R191-A197 HydrophobicContact CG-CB 4.27Å; L194-A197 HydrophobicContact CB-CB 4.17Å; L194-A197 HydrophobicContact CD2-CB 3.97Å; L194-A197 HydrophobicContact CG-CB 3.97Å; L194-A197 VanDerWaalsContact O-CB 3.29Å; L194-A197 WeakPolarHBondContact O-CB 3.33Å; L194-A197 PolarHBondContact O-N 3.46Å; L194-A197 VanDerWaalsContact O-N 3.07Å; D195-A197 VanDerWaalsContact C-N 3.28Å; D195-A197 PolarHBondContact O-N 3.26Å
198P94.7Very high92.3Very high38 Ų3878.1 Ų78.125%0.24736%0.364CS..PPolyproline II helixtrans-51.6146.5163.8-25.535000112.1F227 L229 H233P198-F227 HydrophobicContact CB-CD1 4.45Å; P198-L229 HydrophobicContact CB-CD2 4.13Å; P198-L229 HydrophobicContact CG-CD2 4.03Å; P198-H233 VanDerWaalsContact CA-CE1 3.49Å; P198-H233 WeakPolarHBondContact CA-CE1 3.27Å
199Q95Very high92.3Very high59 Ų5983.5 Ų83.528%0.27638%0.382SS..EExtended strand (participates in β ladder)trans-79.8129.4169.9171.4175.520.600108.5L201 V228 F230Q199-L201 HydrophobicContact CG-CD2 4.32Å; Q199-L201 HydrophobicContact CG-CG 4.49Å; Q199-V228 HydrophobicContact CB-CB 4.11Å; Q199-V228 PolarHBondContact N-O 2.94Å; Q199-V228 PolarHBondContact O-N 3.4Å; Q199-F230 HydrophobicContact CB-CE2 4.29Å
200V95.6Very high92.3Very high9 Ų984.1 Ų84.16%0.05539%0.385CS..EExtended strand (participates in β ladder)trans-111.8132.7175-171.10000108.5F187 T188 I225 T226 F227F187-V200 HydrophobicContact CB-CB 4.38Å; F187-V200 HydrophobicContact CB-CG1 4.13Å; F187-V200 HydrophobicContact CD1-CG2 4.49Å; T188-V200 WeakPolarHBondContact CG2-O 3.23Å; V200-I225 HydrophobicContact CG1-CG2 4.12Å; V200-T226 CarbonylContact C-O 3.48Å; V200-T226 VanDerWaalsContact CA-O 3.26Å; V200-T226 WeakPolarHBondContact CA-O 3.46Å; V200-F227 HydrophobicContact CG1-CE2 4.34Å; V200-F227 HydrophobicContact CG1-CZ 4.25Å; V200-F227 HydrophobicContact CG2-CD1 3.79Å; V200-F227 HydrophobicContact CG2-CE1 3.54Å; V200-F227 HydrophobicContact CG2-CZ 4.06Å
201L95.2Very high92.4Very high75 Ų7582.1 Ų82.139%0.39337%0.373SS..EExtended strand (participates in β ladder)trans-118145.6170.4-50.7166.6000108.5Q199 T226Q199-L201 HydrophobicContact CG-CD2 4.32Å; Q199-L201 HydrophobicContact CG-CG 4.49Å; L201-T226 HydrophobicContact CD1-CG2 4.37Å; L201-T226 PolarHBondContact N-O 3.38Å; L201-T226 PolarHBondContact O-N 2.91Å
202Y94.4Very high92.7Very high54 Ų5484.7 Ų84.721%0.21239%0.388CS..EExtended strand (participates in β ladder)trans-126.8124.3177.7175.3-99.6000108.8K181 M184 H204 A223 Y224 I225K181-Y202 HydrophobicContact CG-CE1 3.96Å; K181-Y202 VanDerWaalsContact CG-OH 3.23Å; K181-Y202 WeakPolarHBondContact CG-OH 3.48Å; M184-Y202 HydrophobicContact CB-CD1 4.35Å; M184-Y202 HydrophobicContact CB-CD2 3.45Å; M184-Y202 VanDerWaalsContact CB-CD2 3.45Å; M184-Y202 HydrophobicContact CB-CE2 3.86Å; M184-Y202 HydrophobicContact CB-CG 3.71Å; M184-Y202 HydrophobicContact CG-CD2 3.46Å; M184-Y202 VanDerWaalsContact CG-CD2 3.46Å; M184-Y202 HydrophobicContact CG-CE2 3.64Å; M184-Y202 HydrophobicContact CG-CG 4.25Å; M184-Y202 HydrophobicContact SD-CD2 4.18Å; Y202-H204 HydrophobicContact CE1-CB 4.16Å; Y202-A223 HydrophobicContact CE2-CB 3.55Å; Y202-Y224 WeakPolarHBondContact CA-O 3.36Å; Y202-I225 HydrophobicContact CD2-CG1 4.26Å
203S93.7Very high92.9Very high39 Ų3979 Ų7927%0.27339%0.392SS..EExtended strand (participates in β ladder)trans-122.3138.2170.8-176.50000109.2V206 Y224S203-V206 PolarHBondContact OG-O 3.23Å; S203-Y224 PolarHBondContact N-O 2.93Å; S203-Y224 PolarHBondContact O-N 3.28Å
204H93.6Very high93.1Very high57 Ų5772 Ų7226%0.26437%0.37SS..EExtended strand (participates in β ladder)trans-107.1139.1175.9177.152.1000109.4K181 Y202 V206 D220 V222K181-H204 PolarHBondContact NZ-CD2 2.93Å; K181-H204 PolarHBondContact NZ-NE2 2.79Å; K181-H204 VanDerWaalsContact NZ-NE2 3.13Å; Y202-H204 HydrophobicContact CE1-CB 4.16Å; H204-V206 PolarHBondContact O-N 2.9Å; H204-D220 PolarHBondContact CE1-O 2.76Å; H204-V222 PolarHBondContact ND1-O 3.46Å
205R93.1Very high93.2Very high123 Ų12371.6 Ų71.646%0.46437%0.368SS..SBendtrans66.6-44.7177.4-177.7-168.9-177.71761.1115.9I218 S219 D220 V222R205-I218 HydrophobicContact CG-CG2 4.03Å; R205-I218 WeakPolarHBondContact O-CA 3.27Å; R205-S219 VanDerWaalsContact CA-O 3.29Å; R205-S219 WeakPolarHBondContact CA-O 3.42Å; R205-S219 PolarHBondContact O-N 3.17Å; R205-D220 WeakPolarHBondContact CD-OD1 3.5Å; R205-D220 IonicContact CZ-OD1 2.73Å; R205-D220 IonicContact NE-OD1 2.86Å; R205-D220 PolarHBondContact NE-OD1 3.31Å; R205-D220 IonicContact NH1-OD1 3.82Å; R205-V222 PolarHBondContact N-O 3.04Å
206V95.1Very high93.5Very high78 Ų7867.4 Ų67.447%0.47335%0.348SS..SBendtrans-100.9122.5-172.5-176.50000109.8S203 H204S203-V206 PolarHBondContact OG-O 3.23Å; H204-V206 PolarHBondContact O-N 2.9Å
207P95.8Very high93.6Very high27 Ų2761.7 Ų61.718%0.17534%0.335CS..PPolyproline II helixtrans-57.8140.9172.9-18.326.5000111.5L211 A216 I218 Y224P207-L211 HydrophobicContact CB-CB 4.17Å; P207-L211 HydrophobicContact CB-CD1 4.35Å; P207-A216 HydrophobicContact CB-CB 3.86Å; P207-A216 HydrophobicContact CG-CB 3.9Å; P207-I218 HydrophobicContact CG-CG1 4.21Å; P207-Y224 HydrophobicContact CB-CE1 4.21Å; P207-Y224 HydrophobicContact CB-CE2 4.02Å; P207-Y224 HydrophobicContact CG-CE1 4.5Å; P207-Y224 HydrophobicContact CG-CE2 3.81Å
208P95.2Very high93.7Very high23 Ų2367 Ų6715%0.14936%0.361CS..PPolyproline II helixtrans-65.9159.3172.832.2-37.2000110.7I166 E210 L211I166-P208 HydrophobicContact CD1-CG 4.07Å; I166-P208 HydrophobicContact CG2-CG 4.31Å; P208-E210 WeakPolarHBondContact CB-OE2 3.32Å; P208-E210 PolarHBondContact O-N 3.06Å; P208-E210 VanDerWaalsContact O-N 3.13Å; P208-L211 HydrophobicContact CG-CD1 4.21Å; P208-L211 HydrophobicContact CG-CG 4.07Å; P208-L211 PolarHBondContact O-N 3.41Å
209K91.9Very high93.6Very high171 Ų17167.2 Ų67.274%0.74336%0.364SS*.G310 helixtrans-61.4-27.9-171.3-67.7-177.8-180179.50112.8L211 Q212K209-L211 PolarHBondContact O-N 3.16Å; K209-Q212 WeakPolarHBondContact O-CB 3.44Å; K209-Q212 VanDerWaalsContact O-CG 3.25Å; K209-Q212 WeakPolarHBondContact O-CG 3.11Å; K209-Q212 PolarHBondContact O-N 3.26Å
210E91Very high93.4Very high81 Ų8169 Ų6938%0.37938%0.375SS..G310 helixtrans-58-23.7175.4-65.883.4169.400112.7R143 I166 P208R143-E210 PolarHBondContact NH1-O 3.35Å; I166-E210 HydrophobicContact CD1-CB 3.96Å; P208-E210 WeakPolarHBondContact CB-OE2 3.32Å; P208-E210 PolarHBondContact O-N 3.06Å; P208-E210 VanDerWaalsContact O-N 3.13Å
211L93.5Very high93.2Very high6 Ų671.1 Ų71.13%0.03139%0.39CS..G310 helixtrans-94.37.1177.6-59.5-168.8000113.7Y155 I166 P207 P208 K209 G213 T214 A216 Y224Y155-L211 HydrophobicContact CD1-CD2 3.53Å; Y155-L211 HydrophobicContact CD2-CD1 3.8Å; Y155-L211 HydrophobicContact CD2-CD2 3.74Å; Y155-L211 HydrophobicContact CD2-CG 4.46Å; Y155-L211 HydrophobicContact CE1-CD2 4.03Å; Y155-L211 HydrophobicContact CE2-CD1 3.68Å; Y155-L211 HydrophobicContact CE2-CD2 4.23Å; Y155-L211 HydrophobicContact CG-CD1 4.3Å; Y155-L211 HydrophobicContact CG-CD2 3.37Å; I166-L211 HydrophobicContact CD1-CD1 4.5Å; I166-L211 HydrophobicContact CD1-CD2 3.65Å; I166-L211 HydrophobicContact CD1-CG 3.94Å; I166-L211 HydrophobicContact CG2-CD1 4.03Å; P207-L211 HydrophobicContact CB-CB 4.17Å; P207-L211 HydrophobicContact CB-CD1 4.35Å; P208-L211 HydrophobicContact CG-CD1 4.21Å; P208-L211 HydrophobicContact CG-CG 4.07Å; P208-L211 PolarHBondContact O-N 3.41Å; K209-L211 PolarHBondContact O-N 3.16Å; L211-G213 PolarHBondContact O-N 3.15Å; L211-T214 WeakPolarHBondContact O-CB 3.45Å; L211-T214 PolarHBondContact O-N 2.88Å; L211-T214 VanDerWaalsContact O-N 3.11Å; L211-T214 PolarHBondContact O-OG1 3.48Å; L211-A216 HydrophobicContact CB-CB 3.88Å; L211-A216 HydrophobicContact CD1-CB 3.79Å; L211-A216 HydrophobicContact CG-CB 4.47Å; L211-Y224 HydrophobicContact CD1-CD1 3.68Å; L211-Y224 HydrophobicContact CD1-CE1 3.59Å
212Q91.1Very high93.1Very high141 Ų14167.7 Ų67.766%0.65937%0.373SS*.THydrogen-bonded Turntrans-58.1138.2172.1-74.5179.3-3.600111.2R143 K209 T214R143-Q212 PolarHBondContact NH1-O 3.11Å; K209-Q212 WeakPolarHBondContact O-CB 3.44Å; K209-Q212 VanDerWaalsContact O-CG 3.25Å; K209-Q212 WeakPolarHBondContact O-CG 3.11Å; K209-Q212 PolarHBondContact O-N 3.26Å; Q212-T214 PolarHBondContact O-N 3.01Å
213G90.6Very high93.1Very high82 Ų8265.1 Ų65.185%0.84536%0.363SS*.THydrogen-bonded Turntrans7410.5-176.200000114.7L211L211-G213 PolarHBondContact O-N 3.15Å
214T93.5Very high93.3Very high33 Ų3363.3 Ų63.320%0.20235%0.35CS..SBendtrans-99.9176166.769.70000110.2Y155 L211 Q212 A216Y155-T214 HydrophobicContact CD1-CG2 4.32Å; Y155-T214 HydrophobicContact CE1-CG2 4.08Å; L211-T214 WeakPolarHBondContact O-CB 3.45Å; L211-T214 PolarHBondContact O-N 2.88Å; L211-T214 VanDerWaalsContact O-N 3.11Å; L211-T214 PolarHBondContact O-OG1 3.48Å; Q212-T214 PolarHBondContact O-N 3.01Å; T214-A216 PolarHBondContact O-N 2.72Å; T214-A216 VanDerWaalsContact OG1-CB 3.29Å; T214-A216 WeakPolarHBondContact OG1-CB 3.34Å; T214-A216 PolarHBondContact OG1-N 2.88Å
215D92.8Very high93.4Very high91 Ų9160.6 Ų60.649%0.48734%0.337SS..  trans-82.614.9171.461-24.9000113.6H147 V217H147-D215 IonicContact CE1-OD2 3.41Å; H147-D215 IonicContact NE2-OD1 2.94Å; H147-D215 IonicContact NE2-OD2 2.87Å; H147-D215 PolarHBondContact NE2-OD2 3.47Å; D215-V217 WeakPolarHBondContact O-CG1 3.49Å; D215-V217 PolarHBondContact O-N 3.32Å
216A94.2Very high93.5Very high20 Ų2054.9 Ų54.917%0.16532%0.316CS..  trans-55.3123.6172.900000111.6Y155 P207 L211 T214 Y224Y155-A216 WeakPolarHBondContact OH-CA 3.23Å; P207-A216 HydrophobicContact CB-CB 3.86Å; P207-A216 HydrophobicContact CG-CB 3.9Å; L211-A216 HydrophobicContact CB-CB 3.88Å; L211-A216 HydrophobicContact CD1-CB 3.79Å; L211-A216 HydrophobicContact CG-CB 4.47Å; T214-A216 PolarHBondContact O-N 2.72Å; T214-A216 VanDerWaalsContact OG1-CB 3.29Å; T214-A216 WeakPolarHBondContact OG1-CB 3.34Å; T214-A216 PolarHBondContact OG1-N 2.88Å; A216-Y224 HydrophobicContact CB-CE1 4.19Å
217V92.6Very high93.6Very high79 Ų7952.3 Ų52.348%0.47930%0.299SS..  trans-90.5145.8-171.9-63.50000113D215 V222 Y224D215-V217 WeakPolarHBondContact O-CG1 3.49Å; D215-V217 PolarHBondContact O-N 3.32Å; V217-V222 HydrophobicContact CG2-CG2 3.99Å; V217-Y224 PolarHBondContact N-OH 3.38Å; V217-Y224 VanDerWaalsContact N-OH 3.07Å; V217-Y224 PolarHBondContact O-OH 2.86Å
218I94.2Very high93.7Very high120 Ų12051.3 Ų51.362%0.61529%0.292SS*.  trans-92.7110.7167.5-61.6169.8000107.8R205 P207R205-I218 HydrophobicContact CG-CG2 4.03Å; R205-I218 WeakPolarHBondContact O-CA 3.27Å; P207-I218 HydrophobicContact CG-CG1 4.21Å
219S93.3Very high93.7Very high44 Ų4450.4 Ų50.431%0.30829%0.286SS..  trans-151.8140.2-176.9172.50000112R205 S221 V222R205-S219 VanDerWaalsContact CA-O 3.29Å; R205-S219 WeakPolarHBondContact CA-O 3.42Å; R205-S219 PolarHBondContact O-N 3.17Å; S219-S221 PolarHBondContact O-N 2.73Å; S219-S221 PolarHBondContact OG-N 2.75Å; S219-V222 PolarHBondContact O-N 3.1Å; S219-V222 VanDerWaalsContact O-N 3.11Å
220D91.9Very high93.9Very high96 Ų9643.6 Ų43.651%0.51326%0.256SS..THydrogen-bonded Turntrans-66-17.3178.4-66.8-34.2000113.1H204 R205H204-D220 PolarHBondContact CE1-O 2.76Å; R205-D220 WeakPolarHBondContact CD-OD1 3.5Å; R205-D220 IonicContact CZ-OD1 2.73Å; R205-D220 IonicContact NE-OD1 2.86Å; R205-D220 PolarHBondContact NE-OD1 3.31Å; R205-D220 IonicContact NH1-OD1 3.82Å
221S91Very high94Very high53 Ų5342.4 Ų42.437%0.37126%0.256SS..THydrogen-bonded Turntrans-91.1-5.6176.3-61.50000113.3T170 F171 S219T170-S221 CarbonylContact C-O 3.57Å; T170-S221 WeakPolarHBondContact CA-O 3.39Å; F171-S221 PolarHBondContact N-O 3.34Å; F171-S221 WeakPolarHBondContact O-CB 3.34Å; S219-S221 PolarHBondContact O-N 2.73Å; S219-S221 PolarHBondContact OG-N 2.75Å
222V93.5Very high94Very high4 Ų448.6 Ų48.62%0.02428%0.279CS..EExtended strand (participates in β ladder)trans-103.1140-173.7177.20000111S168 H204 R205 V217 S219 Y224S168-V222 WeakPolarHBondContact OG-CG1 3.3Å; H204-V222 PolarHBondContact ND1-O 3.46Å; R205-V222 PolarHBondContact N-O 3.04Å; V217-V222 HydrophobicContact CG2-CG2 3.99Å; S219-V222 PolarHBondContact O-N 3.1Å; S219-V222 VanDerWaalsContact O-N 3.11Å; V222-Y224 HydrophobicContact CG1-CD2 4.22Å; V222-Y224 HydrophobicContact CG1-CE1 4.46Å; V222-Y224 HydrophobicContact CG1-CE2 3.64Å
223A94.5Very high94.1Very high0 Ų042.9 Ų42.90%025%0.252CS..EExtended strand (participates in β ladder)trans-126.9143.5166.800000111T169 F171 Y202T169-A223 PolarHBondContact N-O 3.12Å; T169-A223 PolarHBondContact O-N 3.29Å; F171-A223 HydrophobicContact CD2-CB 4.26Å; F171-A223 HydrophobicContact CE2-CB 3.82Å; Y202-A223 HydrophobicContact CE2-CB 3.55Å
224Y96.1Very high94.3Very high0 Ų039 Ų390%021%0.212CC..EExtended strand (participates in β ladder)trans-107.3119.4178.8-67.4-84.2000109.5I166 F167 Y202 S203 P207 L211 A216 V217 V222I166-Y224 HydrophobicContact CG2-CD1 4.13Å; F167-Y224 CarbonylContact O-C 3.57Å; F167-Y224 VanDerWaalsContact O-CA 3.31Å; F167-Y224 WeakPolarHBondContact O-CA 3.49Å; Y202-Y224 WeakPolarHBondContact CA-O 3.36Å; S203-Y224 PolarHBondContact N-O 2.93Å; S203-Y224 PolarHBondContact O-N 3.28Å; P207-Y224 HydrophobicContact CB-CE1 4.21Å; P207-Y224 HydrophobicContact CB-CE2 4.02Å; P207-Y224 HydrophobicContact CG-CE1 4.5Å; P207-Y224 HydrophobicContact CG-CE2 3.81Å; L211-Y224 HydrophobicContact CD1-CD1 3.68Å; L211-Y224 HydrophobicContact CD1-CE1 3.59Å; A216-Y224 HydrophobicContact CB-CE1 4.19Å; V217-Y224 PolarHBondContact N-OH 3.38Å; V217-Y224 VanDerWaalsContact N-OH 3.07Å; V217-Y224 PolarHBondContact O-OH 2.86Å; V222-Y224 HydrophobicContact CG1-CD2 4.22Å; V222-Y224 HydrophobicContact CG1-CE1 4.46Å; V222-Y224 HydrophobicContact CG1-CE2 3.64Å
225I95.8Very high94.1Very high0 Ų041.1 Ų41.10%023%0.228CC..EExtended strand (participates in β ladder)trans-113.3113.9-179.7-50.4166.8000107.7I166 F167 M184 V200 Y202 F227 L250 L254I166-I225 CarbonylContact C-O 3.51Å; I166-I225 WeakPolarHBondContact CA-O 3.25Å; F167-I225 HydrophobicContact CB-CB 4.46Å; F167-I225 PolarHBondContact N-O 2.84Å; F167-I225 PolarHBondContact O-N 2.61Å; M184-I225 HydrophobicContact CE-CD1 4.39Å; M184-I225 HydrophobicContact CG-CD1 4.5Å; M184-I225 HydrophobicContact SD-CB 4.33Å; M184-I225 HydrophobicContact SD-CD1 3.58Å; M184-I225 VanDerWaalsContact SD-CD1 3.58Å; M184-I225 HydrophobicContact SD-CG1 3.69Å; M184-I225 HydrophobicContact SD-CG2 3.67Å; V200-I225 HydrophobicContact CG1-CG2 4.12Å; Y202-I225 HydrophobicContact CD2-CG1 4.26Å; I225-F227 HydrophobicContact CG2-CD2 4.18Å; I225-F227 HydrophobicContact CG2-CE2 3.59Å; I225-F227 HydrophobicContact CG2-CZ 4.47Å; I225-L250 HydrophobicContact CG2-CD2 4.44Å; I225-L254 HydrophobicContact CD1-CD2 3.4Å; I225-L254 VanDerWaalsContact CD1-CD2 3.4Å
226T96.8Very high94.1Very high4 Ų440.4 Ų40.43%0.02523%0.227CC..EExtended strand (participates in β ladder)trans-109.5119.6-174.5-56.50000110.2T164 V165 I166 V200 L201 V228T164-T226 HydrophobicContact CG2-CG2 3.35Å; V165-T226 CarbonylContact O-C 3.53Å; V165-T226 WeakPolarHBondContact O-CA 3.47Å; I166-T226 HydrophobicContact CG1-CG2 3.86Å; V200-T226 CarbonylContact C-O 3.48Å; V200-T226 VanDerWaalsContact CA-O 3.26Å; V200-T226 WeakPolarHBondContact CA-O 3.46Å; L201-T226 HydrophobicContact CD1-CG2 4.37Å; L201-T226 PolarHBondContact N-O 3.38Å; L201-T226 PolarHBondContact O-N 2.91Å; T226-V228 HydrophobicContact CG2-CG2 4.25Å
227F96.9Very high94.1Very high23 Ų2345.6 Ų45.610%0.10125%0.248CC..EExtended strand (participates in β ladder)trans-99.7123.9169.9-75.9-98.5000109.6T164 V165 F187 P198 V200 I225 I247 L250T164-F227 CarbonylContact C-O 3.54Å; T164-F227 VanDerWaalsContact CA-O 3.29Å; T164-F227 WeakPolarHBondContact CA-O 3.42Å; V165-F227 PolarHBondContact N-O 2.93Å; V165-F227 PolarHBondContact O-N 2.94Å; F187-F227 HydrophobicContact CD1-CZ 4.12Å; F187-F227 HydrophobicContact CE1-CZ 4.33Å; P198-F227 HydrophobicContact CB-CD1 4.45Å; V200-F227 HydrophobicContact CG1-CE2 4.34Å; V200-F227 HydrophobicContact CG1-CZ 4.25Å; V200-F227 HydrophobicContact CG2-CD1 3.79Å; V200-F227 HydrophobicContact CG2-CE1 3.54Å; V200-F227 HydrophobicContact CG2-CZ 4.06Å; I225-F227 HydrophobicContact CG2-CD2 4.18Å; I225-F227 HydrophobicContact CG2-CE2 3.59Å; I225-F227 HydrophobicContact CG2-CZ 4.47Å; F227-I247 HydrophobicContact CB-CD1 4.09Å; F227-I247 HydrophobicContact CG-CD1 4.33Å; F227-L250 HydrophobicContact CD2-CD2 4.08Å; F227-L250 HydrophobicContact CE2-CD1 3.86Å; F227-L250 HydrophobicContact CE2-CD2 3.36Å; F227-L250 HydrophobicContact CE2-CG 4.23Å; F227-L250 HydrophobicContact CZ-CD1 3.69Å; F227-L250 HydrophobicContact CZ-CD2 4.1Å
228V96.6Very high94.3Very high6 Ų645.9 Ų45.94%0.03625%0.254CS..EExtended strand (participates in β ladder)trans-103.4108.8173.2-1760000108.7R162 T164 Q199 T226 F230R162-V228 HydrophobicContact CB-CG1 4.02Å; R162-V228 HydrophobicContact CG-CG1 4.31Å; T164-V228 HydrophobicContact CG2-CG2 4.46Å; Q199-V228 HydrophobicContact CB-CB 4.11Å; Q199-V228 PolarHBondContact N-O 2.94Å; Q199-V228 PolarHBondContact O-N 3.4Å; T226-V228 HydrophobicContact CG2-CG2 4.25Å; V228-F230 HydrophobicContact CG1-CE1 3.97Å; V228-F230 HydrophobicContact CG1-CE2 4.25Å; V228-F230 HydrophobicContact CG1-CZ 3.77Å
229L96.8Very high94.3Very high4 Ų441.3 Ų41.32%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-96.9113.1-179.7-55.8170.1000109.4F129 R162 V163 V165 P198 H233 L234 T243 I247F129-L229 HydrophobicContact CE1-CD1 3.98Å; F129-L229 HydrophobicContact CZ-CD1 4.18Å; R162-L229 CarbonylContact C-O 3.59Å; R162-L229 VanDerWaalsContact CA-O 3.28Å; R162-L229 WeakPolarHBondContact CA-O 3.46Å; V163-L229 HydrophobicContact CB-CB 4.42Å; V163-L229 PolarHBondContact N-O 2.98Å; V163-L229 WeakPolarHBondContact O-CA 3.46Å; V163-L229 VanDerWaalsContact O-CB 3.32Å; V163-L229 WeakPolarHBondContact O-CB 3.43Å; V163-L229 PolarHBondContact O-N 3.41Å; V165-L229 HydrophobicContact CG2-CD1 4.15Å; P198-L229 HydrophobicContact CB-CD2 4.13Å; P198-L229 HydrophobicContact CG-CD2 4.03Å; L229-H233 HydrophobicContact CD2-CB 4.46Å; L229-L234 HydrophobicContact CB-CD1 4.39Å; L229-L234 HydrophobicContact CB-CD2 4.48Å; L229-L234 HydrophobicContact CD1-CD2 4.37Å; L229-T243 HydrophobicContact CD1-CG2 3.74Å; L229-T243 HydrophobicContact CD2-CG2 4.06Å; L229-I247 HydrophobicContact CD1-CD1 4.01Å
230F95.2Very high94.4Very high28 Ų2842.4 Ų42.412%0.12323%0.231CC..  trans-83.1162.9173.4-61.9-68.6000111.5R162 Q199 V228 R232 H233R162-F230 HydrophobicContact CB-CD1 4.33Å; Q199-F230 HydrophobicContact CB-CE2 4.29Å; V228-F230 HydrophobicContact CG1-CE1 3.97Å; V228-F230 HydrophobicContact CG1-CE2 4.25Å; V228-F230 HydrophobicContact CG1-CZ 3.77Å; F230-R232 HydrophobicContact CB-CG 4.27Å; F230-R232 PolarHBondContact O-N 3.28Å; F230-H233 AromaticContact CD2-CE1 3.86Å; F230-H233 PolarHBondContact N-ND1 2.95Å; F230-H233 WeakPolarHBondContact O-CB 3.48Å; F230-H233 PolarHBondContact O-N 3.05Å
231P93.3Very high94.6Very high57 Ų5740.2 Ų40.237%0.3722%0.219SC..Hα-helixtrans-49.8-33.7179.1-30.833000114D161 H233 L234 S235D161-P231 WeakPolarHBondContact O-CD 3.3Å; P231-H233 PolarHBondContact O-N 3.29Å; P231-H233 VanDerWaalsContact O-N 3.15Å; P231-L234 CarbonylContact O-C 3.48Å; P231-L234 PolarHBondContact O-N 3.21Å; P231-S235 WeakPolarHBondContact O-CA 3.31Å; P231-S235 VanDerWaalsContact O-CB 3.29Å; P231-S235 WeakPolarHBondContact O-CB 3.26Å; P231-S235 PolarHBondContact O-N 3.4Å
232R92.6Very high94.8Very high136 Ų13640.4 Ų40.451%0.51322%0.221SC..Hα-helixtrans-57.7-28.1176.176.5-174.5103.7-1496.4113.7F230F230-R232 HydrophobicContact CB-CG 4.27Å; F230-R232 PolarHBondContact O-N 3.28Å
233H94.9Very high95Very high20 Ų2041.2 Ų41.29%0.09323%0.226CC..Hα-helixtrans-84.8-13.3177.2-47.5135.8000112.9R196 P198 L229 F230 P231 A239 T243R196-H233 PolarHBondContact O-NE2 3.45Å; R196-H233 VanDerWaalsContact O-NE2 3.12Å; P198-H233 VanDerWaalsContact CA-CE1 3.49Å; P198-H233 WeakPolarHBondContact CA-CE1 3.27Å; L229-H233 HydrophobicContact CD2-CB 4.46Å; F230-H233 AromaticContact CD2-CE1 3.86Å; F230-H233 PolarHBondContact N-ND1 2.95Å; F230-H233 WeakPolarHBondContact O-CB 3.48Å; F230-H233 PolarHBondContact O-N 3.05Å; P231-H233 PolarHBondContact O-N 3.29Å; P231-H233 VanDerWaalsContact O-N 3.15Å; H233-A239 CarbonylContact O-C 3.42Å; H233-A239 WeakPolarHBondContact O-CB 3.24Å; H233-T243 PolarHBondContact O-OG1 3.47Å
234L94.7Very high95.1Very high1 Ų141.2 Ų41.21%0.00523%0.226CC..Hα-helixtrans-122.4-7.8-171.2-52.1179.9000113.5F129 V163 L229 P231 T236 R240 T243F129-L234 HydrophobicContact CB-CD1 4.42Å; F129-L234 HydrophobicContact CD1-CD1 3.63Å; F129-L234 HydrophobicContact CD1-CD2 3.71Å; F129-L234 HydrophobicContact CD1-CG 4.28Å; F129-L234 HydrophobicContact CD2-CD2 3.85Å; F129-L234 HydrophobicContact CE1-CD1 4.07Å; F129-L234 HydrophobicContact CE1-CD2 3.57Å; F129-L234 HydrophobicContact CE1-CG 4.49Å; F129-L234 HydrophobicContact CE2-CD2 3.68Å; F129-L234 HydrophobicContact CG-CD1 4.07Å; F129-L234 HydrophobicContact CG-CD2 3.85Å; F129-L234 HydrophobicContact CG-CG 4.44Å; F129-L234 HydrophobicContact CZ-CD2 3.55Å; V163-L234 HydrophobicContact CB-CD1 4.08Å; V163-L234 HydrophobicContact CG2-CD1 3.7Å; L229-L234 HydrophobicContact CB-CD1 4.39Å; L229-L234 HydrophobicContact CB-CD2 4.48Å; L229-L234 HydrophobicContact CD1-CD2 4.37Å; P231-L234 CarbonylContact O-C 3.48Å; P231-L234 PolarHBondContact O-N 3.21Å; L234-T236 PolarHBondContact O-N 3.45Å; L234-R240 HydrophobicContact CB-CG 4.36Å; L234-R240 WeakPolarHBondContact O-CD 3.45Å; L234-R240 WeakPolarHBondContact O-CG 3.3Å; L234-R240 PolarHBondContact O-NH1 3.01Å; L234-T243 HydrophobicContact CD2-CG2 4.3Å
235S88.6Confident95.1Very high78 Ų7843.2 Ų43.255%0.54524%0.236SC..SBendtrans-63.1-36-170.855.60000114.2P231P231-S235 WeakPolarHBondContact O-CA 3.31Å; P231-S235 VanDerWaalsContact O-CB 3.29Å; P231-S235 WeakPolarHBondContact O-CB 3.26Å; P231-S235 PolarHBondContact O-N 3.4Å
236T93.7Very high95Very high75 Ų7548 Ų4846%0.4626%0.261SS..SBendtrans-109.2153.2179.7660000110.8L234 S238 A239 R240L234-T236 PolarHBondContact O-N 3.45Å; T236-S238 VanDerWaalsContact C-N 3.31Å; T236-S238 PolarHBondContact O-N 3.45Å; T236-A239 PolarHBondContact O-N 3.09Å; T236-A239 WeakPolarHBondContact OG1-CB 3.44Å; T236-A239 PolarHBondContact OG1-N 2.93Å; T236-A239 VanDerWaalsContact OG1-N 3.14Å; T236-R240 WeakPolarHBondContact O-CG 3.13Å; T236-R240 PolarHBondContact O-N 3.4Å
237E94.1Very high95Very high129 Ų12948.3 Ų48.360%0.60326%0.263SS*.Hα-helixtrans-59.4-42.7176.7-172.1178.8164.500112.3A239 R240 N241E237-A239 PolarHBondContact O-N 2.95Å; E237-R240 PolarHBondContact O-N 3.48Å; E237-N241 PolarHBondContact O-N 3Å; E237-N241 PolarHBondContact O-ND2 3.46Å
238S95.6Very high94.9Very high86 Ų8647.8 Ų47.860%0.60126%0.261SS*.Hα-helixtrans-57.7-46.7174173.90000111.7T236 R240 N241 S242T236-S238 VanDerWaalsContact C-N 3.31Å; T236-S238 PolarHBondContact O-N 3.45Å; S238-R240 PolarHBondContact O-N 2.97Å; S238-N241 PolarHBondContact O-N 3.33Å; S238-S242 WeakPolarHBondContact O-CB 3.43Å; S238-S242 PolarHBondContact O-N 2.9Å; S238-S242 PolarHBondContact O-OG 3.18Å; S238-S242 VanDerWaalsContact O-OG 3.11Å
239A94.6Very high94.7Very high23 Ų2348.1 Ų48.119%0.1926%0.263CS..Hα-helixtrans-65.2-37.8178.800000112.6H233 T236 E237 T243H233-A239 CarbonylContact O-C 3.42Å; H233-A239 WeakPolarHBondContact O-CB 3.24Å; T236-A239 PolarHBondContact O-N 3.09Å; T236-A239 WeakPolarHBondContact OG1-CB 3.44Å; T236-A239 PolarHBondContact OG1-N 2.93Å; T236-A239 VanDerWaalsContact OG1-N 3.14Å; E237-A239 PolarHBondContact O-N 2.95Å; A239-T243 VanDerWaalsContact O-CB 3.27Å; A239-T243 WeakPolarHBondContact O-CB 3.39Å; A239-T243 PolarHBondContact O-N 3.21Å; A239-T243 PolarHBondContact O-OG1 3.07Å
240R96.1Very high94.6Very high68 Ų6848.6 Ų48.626%0.25727%0.265SS..Hα-helixtrans-61.9-50.4173.8-69.1-170.8-59.3-97.76.4111.4F129 L234 T236 E237 S238 T243 I244F129-R240 HydrophobicContact CD2-CB 4.19Å; F129-R240 HydrophobicContact CD2-CG 4.02Å; F129-R240 HydrophobicContact CE2-CB 4.46Å; L234-R240 HydrophobicContact CB-CG 4.36Å; L234-R240 WeakPolarHBondContact O-CD 3.45Å; L234-R240 WeakPolarHBondContact O-CG 3.3Å; L234-R240 PolarHBondContact O-NH1 3.01Å; T236-R240 WeakPolarHBondContact O-CG 3.13Å; T236-R240 PolarHBondContact O-N 3.4Å; E237-R240 PolarHBondContact O-N 3.48Å; S238-R240 PolarHBondContact O-N 2.97Å; R240-T243 WeakPolarHBondContact O-CB 3.3Å; R240-T243 PolarHBondContact O-N 3.39Å; R240-I244 WeakPolarHBondContact O-CG1 3.43Å; R240-I244 PolarHBondContact O-N 3.22Å
241N96.1Very high94.5Very high50 Ų5049.3 Ų49.327%0.26727%0.267SS..Hα-helixtrans-60.5-49.2-180-79.3-34.9000111.5R118 E237 S238 T243 I244 D245R118-N241 PolarHBondContact NH2-OD1 2.94Å; E237-N241 PolarHBondContact O-N 3Å; E237-N241 PolarHBondContact O-ND2 3.46Å; S238-N241 PolarHBondContact O-N 3.33Å; N241-T243 VanDerWaalsContact C-N 3.27Å; N241-T243 PolarHBondContact O-N 3.17Å; N241-I244 PolarHBondContact O-N 3.4Å; N241-I244 VanDerWaalsContact O-N 3.15Å; N241-D245 WeakPolarHBondContact O-CB 3.39Å; N241-D245 PolarHBondContact O-N 3.34Å
242S95Very high94.5Very high57 Ų5747 Ų4740%0.39925%0.251SS..Hα-helixtrans-61.1-35.9176.3-60.10000112.7S238 L246S238-S242 WeakPolarHBondContact O-CB 3.43Å; S238-S242 PolarHBondContact O-N 2.9Å; S238-S242 PolarHBondContact O-OG 3.18Å; S238-S242 VanDerWaalsContact O-OG 3.11Å; S242-L246 WeakPolarHBondContact O-CB 3.28Å; S242-L246 VanDerWaalsContact O-CG 3.26Å; S242-L246 WeakPolarHBondContact O-CG 3.39Å; S242-L246 PolarHBondContact O-N 3.36Å
243T96.3Very high94.6Very high21 Ų2141.5 Ų41.513%0.12923%0.231CC..Hα-helixtrans-64.7-45.7175.2-62.90000111F129 L229 H233 L234 A239 R240 N241 L246 I247F129-T243 HydrophobicContact CE2-CG2 4.44Å; F129-T243 HydrophobicContact CZ-CG2 3.93Å; L229-T243 HydrophobicContact CD1-CG2 3.74Å; L229-T243 HydrophobicContact CD2-CG2 4.06Å; H233-T243 PolarHBondContact O-OG1 3.47Å; L234-T243 HydrophobicContact CD2-CG2 4.3Å; A239-T243 VanDerWaalsContact O-CB 3.27Å; A239-T243 WeakPolarHBondContact O-CB 3.39Å; A239-T243 PolarHBondContact O-N 3.21Å; A239-T243 PolarHBondContact O-OG1 3.07Å; R240-T243 WeakPolarHBondContact O-CB 3.3Å; R240-T243 PolarHBondContact O-N 3.39Å; N241-T243 VanDerWaalsContact C-N 3.27Å; N241-T243 PolarHBondContact O-N 3.17Å; T243-L246 PolarHBondContact O-N 3.07Å; T243-I247 VanDerWaalsContact O-CB 3.24Å; T243-I247 WeakPolarHBondContact O-CB 3.44Å; T243-I247 WeakPolarHBondContact O-CG2 3.38Å; T243-I247 PolarHBondContact O-N 3.04Å
244I97.2Very high94.5Very high0 Ų040.6 Ų40.60%023%0.227CC..Hα-helixtrans-60.5-49.5178.3-68.1168.9000110.1A122 F125 E126 F129 R240 N241 L246 I247 Q248A122-I244 HydrophobicContact CB-CD1 4.23Å; A122-I244 HydrophobicContact CB-CG2 3.99Å; F125-I244 HydrophobicContact CB-CD1 4.04Å; F125-I244 HydrophobicContact CB-CG1 3.71Å; F125-I244 HydrophobicContact CD2-CG1 4.29Å; F125-I244 HydrophobicContact CD2-CG2 4.2Å; F125-I244 HydrophobicContact CG-CG1 4.2Å; E126-I244 HydrophobicContact CG-CD1 3.88Å; F129-I244 HydrophobicContact CE2-CD1 4.1Å; F129-I244 HydrophobicContact CE2-CG1 3.78Å; F129-I244 HydrophobicContact CZ-CG1 4.43Å; R240-I244 WeakPolarHBondContact O-CG1 3.43Å; R240-I244 PolarHBondContact O-N 3.22Å; N241-I244 PolarHBondContact O-N 3.4Å; N241-I244 VanDerWaalsContact O-N 3.15Å; I244-L246 VanDerWaalsContact C-N 3.28Å; I244-L246 PolarHBondContact O-N 3.28Å; I244-I247 PolarHBondContact O-N 3.45Å; I244-Q248 WeakPolarHBondContact O-CB 3.42Å; I244-Q248 WeakPolarHBondContact O-CG 3.35Å; I244-Q248 PolarHBondContact O-N 2.9Å; I244-Q248 VanDerWaalsContact O-N 3.08Å
245D95.6Very high94.4Very high42 Ų4241.3 Ų41.323%0.22523%0.23CC..Hα-helixtrans-55.6-42.5-178.1-66.7-12.2000112.2V6 R118 N241 T249V6-D245 HydrophobicContact CG1-CB 4.35Å; V6-D245 HydrophobicContact CG2-CB 3.91Å; R118-D245 IonicContact CZ-OD1 3.78Å; R118-D245 IonicContact NE-OD1 3.45Å; R118-D245 PolarHBondContact NE-OD1 2.84Å; R118-D245 IonicContact NH2-OD1 3.79Å; R118-D245 PolarHBondContact NH2-OD1 2.86Å; R118-D245 VanDerWaalsContact NH2-OD1 3.16Å; N241-D245 WeakPolarHBondContact O-CB 3.39Å; N241-D245 PolarHBondContact O-N 3.34Å; D245-T249 WeakPolarHBondContact O-CG2 3.49Å; D245-T249 PolarHBondContact O-OG1 2.9Å; D245-T249 VanDerWaalsContact O-OG1 3.05Å
246L95Very high94.6Very high100 Ų10042 Ų4252%0.52422%0.221SC..Hα-helixtrans-80.4-43.7-179.7-65.8173.1000113I3 S242 T243 I244 T249 L250I3-L246 HydrophobicContact CG2-CD2 4.41Å; S242-L246 WeakPolarHBondContact O-CB 3.28Å; S242-L246 VanDerWaalsContact O-CG 3.26Å; S242-L246 WeakPolarHBondContact O-CG 3.39Å; S242-L246 PolarHBondContact O-N 3.36Å; T243-L246 PolarHBondContact O-N 3.07Å; I244-L246 VanDerWaalsContact C-N 3.28Å; I244-L246 PolarHBondContact O-N 3.28Å; L246-T249 PolarHBondContact O-N 3.01Å; L246-T249 PolarHBondContact O-OG1 3.27Å; L246-T249 VanDerWaalsContact O-OG1 3.06Å; L246-L250 PolarHBondContact O-N 2.85Å
247I95.6Very high94.6Very high11 Ų1139.2 Ų39.26%0.05620%0.203CC..Hα-helixtrans-73.9-37.6-170.8-156158.5000111.7F125 V165 F167 F227 L229 T243 I244 T249 L250F125-I247 HydrophobicContact CD1-CG2 4.12Å; F125-I247 HydrophobicContact CE1-CG2 3.65Å; F125-I247 HydrophobicContact CE2-CG2 4.12Å; F125-I247 HydrophobicContact CZ-CG2 3.64Å; V165-I247 HydrophobicContact CB-CD1 3.7Å; V165-I247 HydrophobicContact CG1-CD1 3.96Å; V165-I247 HydrophobicContact CG1-CG1 4.24Å; V165-I247 HydrophobicContact CG2-CD1 3.71Å; F167-I247 HydrophobicContact CE2-CG1 3.88Å; F167-I247 HydrophobicContact CZ-CG1 4.1Å; F167-I247 WeakPolarHBondContact CZ-O 3.39Å; F227-I247 HydrophobicContact CB-CD1 4.09Å; F227-I247 HydrophobicContact CG-CD1 4.33Å; L229-I247 HydrophobicContact CD1-CD1 4.01Å; T243-I247 VanDerWaalsContact O-CB 3.24Å; T243-I247 WeakPolarHBondContact O-CB 3.44Å; T243-I247 WeakPolarHBondContact O-CG2 3.38Å; T243-I247 PolarHBondContact O-N 3.04Å; I244-I247 PolarHBondContact O-N 3.45Å; I247-T249 PolarHBondContact O-N 2.76Å; I247-L250 VanDerWaalsContact O-CB 3.28Å; I247-L250 WeakPolarHBondContact O-CB 3.18Å; I247-L250 PolarHBondContact O-N 2.88Å
248Q94.7Very high94.6Very high12 Ų1233 Ų336%0.05617%0.174CC..THydrogen-bonded Turntrans-68.4-21.9179.270.1108.47.600112.6M121 F125 I244M121-Q248 HydrophobicContact CB-CB 4.29Å; F125-Q248 HydrophobicContact CE2-CB 3.98Å; F125-Q248 HydrophobicContact CZ-CB 4.5Å; I244-Q248 WeakPolarHBondContact O-CB 3.42Å; I244-Q248 WeakPolarHBondContact O-CG 3.35Å; I244-Q248 PolarHBondContact O-N 2.9Å; I244-Q248 VanDerWaalsContact O-N 3.08Å
249T93.9Very high94.6Very high13 Ų1335 Ų358%0.0817%0.172CC..THydrogen-bonded Turntrans-95.5-1.2178.458.40000113.7D245 L246 I247 R251 N252 Y253D245-T249 WeakPolarHBondContact O-CG2 3.49Å; D245-T249 PolarHBondContact O-OG1 2.9Å; D245-T249 VanDerWaalsContact O-OG1 3.05Å; L246-T249 PolarHBondContact O-N 3.01Å; L246-T249 PolarHBondContact O-OG1 3.27Å; L246-T249 VanDerWaalsContact O-OG1 3.06Å; I247-T249 PolarHBondContact O-N 2.76Å; T249-R251 VanDerWaalsContact C-N 3.32Å; T249-R251 PolarHBondContact O-N 3.45Å; T249-N252 PolarHBondContact O-N 2.84Å; T249-N252 VanDerWaalsContact O-N 3.12Å; T249-Y253 WeakPolarHBondContact O-CB 3.39Å; T249-Y253 PolarHBondContact O-N 2.94Å
250L93.9Very high94.6Very high13 Ų1336.5 Ų36.57%0.06818%0.18CC..Hα-helixtrans-50.5-48.7-173.7176.174.9000112.8F167 I225 F227 L246 I247 N252 Y253 L254F167-L250 HydrophobicContact CB-CD2 4.45Å; F167-L250 HydrophobicContact CD1-CD2 4.45Å; F167-L250 HydrophobicContact CD2-CD2 3.29Å; F167-L250 HydrophobicContact CE2-CB 4.33Å; F167-L250 HydrophobicContact CE2-CD2 3.48Å; F167-L250 VanDerWaalsContact CE2-CD2 3.48Å; F167-L250 HydrophobicContact CG-CD2 3.82Å; F167-L250 HydrophobicContact CZ-CB 4.27Å; F167-L250 HydrophobicContact CZ-CD2 4.16Å; I225-L250 HydrophobicContact CG2-CD2 4.44Å; F227-L250 HydrophobicContact CD2-CD2 4.08Å; F227-L250 HydrophobicContact CE2-CD1 3.86Å; F227-L250 HydrophobicContact CE2-CD2 3.36Å; F227-L250 HydrophobicContact CE2-CG 4.23Å; F227-L250 HydrophobicContact CZ-CD1 3.69Å; F227-L250 HydrophobicContact CZ-CD2 4.1Å; L246-L250 PolarHBondContact O-N 2.85Å; I247-L250 VanDerWaalsContact O-CB 3.28Å; I247-L250 WeakPolarHBondContact O-CB 3.18Å; I247-L250 PolarHBondContact O-N 2.88Å; L250-N252 VanDerWaalsContact C-N 3.34Å; L250-N252 PolarHBondContact O-N 3.14Å; L250-Y253 WeakPolarHBondContact O-CB 3.38Å; L250-Y253 PolarHBondContact O-N 2.81Å; L250-L254 WeakPolarHBondContact O-CB 3.44Å; L250-L254 PolarHBondContact O-N 2.84Å
251R93.5Very high94.5Very high43 Ų4335.5 Ų35.516%0.16218%0.184CC..Hα-helixtrans-60.9-44.1-176.3-174.5-92.8-176.5-128.2-10.8111.6Y148 E152 T169 T249 L254 H255Y148-R251 HydrophobicContact CE2-CB 4.45Å; Y148-R251 HydrophobicContact CE2-CG 4.09Å; E152-R251 IonicContact OE1-CZ 3.11Å; E152-R251 IonicContact OE1-NE 3.19Å; E152-R251 PolarHBondContact OE1-NE 2.81Å; E152-R251 IonicContact OE1-NH2 3.38Å; E152-R251 PolarHBondContact OE1-NH2 3.06Å; E152-R251 WeakPolarHBondContact OE2-CG 3.38Å; E152-R251 IonicContact OE2-CZ 2.6Å; E152-R251 IonicContact OE2-NE 2.93Å; E152-R251 PolarHBondContact OE2-NE 2.6Å; E152-R251 IonicContact OE2-NH2 3.7Å; T169-R251 HydrophobicContact CG2-CG 4.48Å; T249-R251 VanDerWaalsContact C-N 3.32Å; T249-R251 PolarHBondContact O-N 3.45Å; R251-L254 PolarHBondContact O-N 2.82Å; R251-H255 PolarHBondContact NH1-CD2 2.78Å; R251-H255 PolarHBondContact NH2-NE2 2.85Å; R251-H255 PolarHBondContact O-CD2 3.28Å; R251-H255 VanDerWaalsContact O-CD2 3.29Å; R251-H255 PolarHBondContact O-N 2.82Å; R251-H255 VanDerWaalsContact O-N 3.07Å
252N93Very high94.4Very high9 Ų934.5 Ų34.55%0.04818%0.177CC..Hα-helixtrans-66.5-45179.2-59.9-34.5000110.6L4 F38 T249 L250 L254 Y256L4-N252 VanDerWaalsContact CD1-C 3.46Å; L4-N252 HydrophobicContact CD1-CB 3.63Å; F38-N252 WeakPolarHBondContact CB-ND2 3.44Å; F38-N252 WeakPolarHBondContact CB-OD1 3.4Å; F38-N252 HydrophobicContact CD1-CB 3.98Å; F38-N252 VanDerWaalsContact CD1-OD1 3.23Å; F38-N252 WeakPolarHBondContact CD1-OD1 3.26Å; F38-N252 HydrophobicContact CD2-CB 4.36Å; F38-N252 HydrophobicContact CE1-CB 4.07Å; F38-N252 HydrophobicContact CE2-CB 4.44Å; F38-N252 HydrophobicContact CG-CB 4.13Å; F38-N252 VanDerWaalsContact CG-ND2 3.26Å; F38-N252 WeakPolarHBondContact CG-ND2 3.4Å; F38-N252 WeakPolarHBondContact CG-OD1 3.44Å; F38-N252 HydrophobicContact CZ-CB 4.3Å; T249-N252 PolarHBondContact O-N 2.84Å; T249-N252 VanDerWaalsContact O-N 3.12Å; L250-N252 VanDerWaalsContact C-N 3.34Å; L250-N252 PolarHBondContact O-N 3.14Å; N252-L254 VanDerWaalsContact C-N 3.35Å; N252-L254 PolarHBondContact O-N 3.16Å; N252-Y256 WeakPolarHBondContact O-CB 3.34Å; N252-Y256 PolarHBondContact O-N 3.18Å
253Y93.5Very high94.4Very high20 Ų2034.4 Ų34.48%0.07818%0.18CC..Hα-helixtrans-58.2-47.1175.9168.1-84.3000111.2M1 F183 F187 T249 L250 Y256 H257M1-Y253 HydrophobicContact CE-CE2 4.07Å; M1-Y253 WeakPolarHBondContact CE-OH 3.19Å; M1-Y253 HydrophobicContact CG-CE2 4.04Å; M1-Y253 VanDerWaalsContact CG-OH 3.24Å; M1-Y253 WeakPolarHBondContact CG-OH 3.44Å; M1-Y253 HydrophobicContact SD-CE2 4.46Å; M1-Y253 PolarHBondContact SD-OH 3.33Å; F183-Y253 AromaticContact CE1-CE1 3.84Å; F183-Y253 HydrophobicContact CE1-CE1 3.84Å; F183-Y253 AromaticContact CZ-CE1 3.76Å; F183-Y253 HydrophobicContact CZ-CE1 3.76Å; F187-Y253 AromaticContact CZ-CE1 3.84Å; F187-Y253 HydrophobicContact CZ-CE1 3.84Å; T249-Y253 WeakPolarHBondContact O-CB 3.39Å; T249-Y253 PolarHBondContact O-N 2.94Å; L250-Y253 WeakPolarHBondContact O-CB 3.38Å; L250-Y253 PolarHBondContact O-N 2.81Å; Y253-Y256 PolarHBondContact O-N 3.22Å; Y253-H257 AromaticContact CD2-CD2 3.5Å; Y253-H257 VanDerWaalsContact CD2-CD2 3.5Å; Y253-H257 WeakPolarHBondContact CD2-CD2 3.46Å; Y253-H257 AromaticContact CD2-NE2 3.42Å; Y253-H257 WeakPolarHBondContact CD2-NE2 3.44Å; Y253-H257 AromaticContact CE1-CD2 3.81Å; Y253-H257 AromaticContact CE2-CD2 3.26Å; Y253-H257 WeakPolarHBondContact CE2-CD2 3.38Å; Y253-H257 AromaticContact CE2-NE2 3.14Å; Y253-H257 WeakPolarHBondContact CE2-NE2 3.38Å; Y253-H257 AromaticContact CG-CD2 3.87Å; Y253-H257 AromaticContact CZ-CD2 3.41Å; Y253-H257 VanDerWaalsContact CZ-CD2 3.41Å; Y253-H257 AromaticContact CZ-NE2 3.76Å; Y253-H257 PolarHBondContact O-CD2 3.16Å; Y253-H257 PolarHBondContact O-N 3.24Å
254L93.1Very high94.4Very high1 Ų139.6 Ų39.61%0.00520%0.198CC..Hα-helixtrans-61.8-54-179.2179.756.7000111.9F171 F183 M184 I225 L250 R251 N252 Y256 H257 I258F171-L254 HydrophobicContact CZ-CD2 4.14Å; F183-L254 HydrophobicContact CD1-CD1 3.4Å; F183-L254 VanDerWaalsContact CD1-CD1 3.4Å; F183-L254 HydrophobicContact CE1-CD1 3.77Å; F183-L254 HydrophobicContact CG-CD1 4.24Å; M184-L254 HydrophobicContact CE-CD1 3.58Å; M184-L254 HydrophobicContact CE-CD2 4.14Å; M184-L254 HydrophobicContact CE-CG 4.48Å; I225-L254 HydrophobicContact CD1-CD2 3.4Å; I225-L254 VanDerWaalsContact CD1-CD2 3.4Å; L250-L254 WeakPolarHBondContact O-CB 3.44Å; L250-L254 PolarHBondContact O-N 2.84Å; R251-L254 PolarHBondContact O-N 2.82Å; N252-L254 VanDerWaalsContact C-N 3.35Å; N252-L254 PolarHBondContact O-N 3.16Å; L254-Y256 VanDerWaalsContact C-N 3.31Å; L254-Y256 PolarHBondContact O-N 2.94Å; L254-H257 PolarHBondContact O-N 2.89Å; L254-I258 HydrophobicContact CD1-CD1 3.63Å; L254-I258 HydrophobicContact CD1-CG1 4.14Å; L254-I258 HydrophobicContact CG-CD1 3.8Å; L254-I258 VanDerWaalsContact O-CG1 3.3Å; L254-I258 WeakPolarHBondContact O-CG1 3.28Å; L254-I258 PolarHBondContact O-N 3.13Å
255H92.6Very high94.3Very high17 Ų1744.4 Ų44.48%0.07922%0.222CC..Hα-helixtrans-65.7-34.5-178.9-80.5-80.2000112.7T169 R251 K259T169-H255 WeakPolarHBondContact CG2-NE2 3.31Å; R251-H255 PolarHBondContact NH1-CD2 2.78Å; R251-H255 PolarHBondContact NH2-NE2 2.85Å; R251-H255 PolarHBondContact O-CD2 3.28Å; R251-H255 VanDerWaalsContact O-CD2 3.29Å; R251-H255 PolarHBondContact O-N 2.82Å; R251-H255 VanDerWaalsContact O-N 3.07Å; H255-K259 WeakPolarHBondContact O-CB 3.27Å; H255-K259 VanDerWaalsContact O-CG 3.27Å; H255-K259 WeakPolarHBondContact O-CG 3.46Å; H255-K259 PolarHBondContact O-N 3.4Å; H255-K259 VanDerWaalsContact O-N 3.1Å
256Y94Very high94.4Very high91 Ų9145.7 Ų45.736%0.35723%0.226SC..Hα-helixtrans-60.2-52.5174.4175.1-94.4000110.9L4 N252 Y253 L254 I258 K259 C260L4-Y256 HydrophobicContact CD2-CD1 4.32Å; L4-Y256 HydrophobicContact CD2-CD2 4.39Å; L4-Y256 HydrophobicContact CD2-CG 4.2Å; N252-Y256 WeakPolarHBondContact O-CB 3.34Å; N252-Y256 PolarHBondContact O-N 3.18Å; Y253-Y256 PolarHBondContact O-N 3.22Å; L254-Y256 VanDerWaalsContact C-N 3.31Å; L254-Y256 PolarHBondContact O-N 2.94Å; Y256-I258 PolarHBondContact O-N 3.39Å; Y256-K259 PolarHBondContact O-N 2.77Å; Y256-C260 WeakPolarHBondContact O-CB 3.47Å; Y256-C260 PolarHBondContact O-N 3.45Å; Y256-C260 PolarHBondContact O-SG 3.13Å; Y256-C260 VanDerWaalsContact O-SG 3.34Å
257H93.4Very high94.5Very high17 Ų1747.2 Ų47.28%0.07923%0.232CC..Hα-helixtrans-69.2-32.9-177-73.4-57.3000113.4I2 F183 Y253 L254 S261I2-H257 PolarHBondContact N-CE1 3.05Å; I2-H257 PolarHBondContact O-CE1 3.2Å; I2-H257 VanDerWaalsContact O-CE1 3.24Å; I2-H257 PolarHBondContact O-NE2 3.1Å; F183-H257 HydrophobicContact CE2-CB 3.96Å; F183-H257 HydrophobicContact CZ-CB 4.04Å; Y253-H257 AromaticContact CD2-CD2 3.5Å; Y253-H257 VanDerWaalsContact CD2-CD2 3.5Å; Y253-H257 WeakPolarHBondContact CD2-CD2 3.46Å; Y253-H257 AromaticContact CD2-NE2 3.42Å; Y253-H257 WeakPolarHBondContact CD2-NE2 3.44Å; Y253-H257 AromaticContact CE1-CD2 3.81Å; Y253-H257 AromaticContact CE2-CD2 3.26Å; Y253-H257 WeakPolarHBondContact CE2-CD2 3.38Å; Y253-H257 AromaticContact CE2-NE2 3.14Å; Y253-H257 WeakPolarHBondContact CE2-NE2 3.38Å; Y253-H257 AromaticContact CG-CD2 3.87Å; Y253-H257 AromaticContact CZ-CD2 3.41Å; Y253-H257 VanDerWaalsContact CZ-CD2 3.41Å; Y253-H257 AromaticContact CZ-NE2 3.76Å; Y253-H257 PolarHBondContact O-CD2 3.16Å; Y253-H257 PolarHBondContact O-N 3.24Å; L254-H257 PolarHBondContact O-N 2.89Å; H257-S261 VanDerWaalsContact O-CB 3.25Å; H257-S261 WeakPolarHBondContact O-CB 3.38Å; H257-S261 PolarHBondContact O-N 3.11Å; H257-S261 PolarHBondContact O-OG 2.9Å
258I94.3Very high94.6Very high0 Ų054.1 Ų54.10%026%0.257CS..Hα-helixtrans-62.9-49.7173.2-71.3170.1000110.3F171 D176 I179 L254 Y256 C260 S261 K262F171-I258 HydrophobicContact CE1-CD1 3.57Å; F171-I258 HydrophobicContact CZ-CD1 4.22Å; D176-I258 HydrophobicContact CB-CG2 3.82Å; I179-I258 HydrophobicContact CB-CG2 4.22Å; I179-I258 HydrophobicContact CG2-CB 4.45Å; I179-I258 HydrophobicContact CG2-CG1 4.3Å; I179-I258 HydrophobicContact CG2-CG2 4.09Å; L254-I258 HydrophobicContact CD1-CD1 3.63Å; L254-I258 HydrophobicContact CD1-CG1 4.14Å; L254-I258 HydrophobicContact CG-CD1 3.8Å; L254-I258 VanDerWaalsContact O-CG1 3.3Å; L254-I258 WeakPolarHBondContact O-CG1 3.28Å; L254-I258 PolarHBondContact O-N 3.13Å; Y256-I258 PolarHBondContact O-N 3.39Å; I258-C260 PolarHBondContact O-N 3.08Å; I258-S261 PolarHBondContact O-N 2.98Å; I258-K262 WeakPolarHBondContact O-CB 3.2Å; I258-K262 PolarHBondContact O-N 2.88Å
259K94.2Very high94.8Very high126 Ų12658.8 Ų58.855%0.54828%0.281SS..Hα-helixtrans-63-43.8179.6-73177.8179.2-175.60112.1H255 Y256 K262 A263H255-K259 WeakPolarHBondContact O-CB 3.27Å; H255-K259 VanDerWaalsContact O-CG 3.27Å; H255-K259 WeakPolarHBondContact O-CG 3.46Å; H255-K259 PolarHBondContact O-N 3.4Å; H255-K259 VanDerWaalsContact O-N 3.1Å; Y256-K259 PolarHBondContact O-N 2.77Å; K259-K262 PolarHBondContact O-N 3.34Å; K259-A263 WeakPolarHBondContact O-CB 3.33Å; K259-A263 PolarHBondContact O-N 3.24Å
260C94.6Very high95Very high55 Ų5565.5 Ų65.537%0.37230%0.304SS..Hα-helixtrans-62-43.7175.7-71.10000111.9Y256 I258 A263 Y264Y256-C260 WeakPolarHBondContact O-CB 3.47Å; Y256-C260 PolarHBondContact O-N 3.45Å; Y256-C260 PolarHBondContact O-SG 3.13Å; Y256-C260 VanDerWaalsContact O-SG 3.34Å; I258-C260 PolarHBondContact O-N 3.08Å; C260-A263 PolarHBondContact O-N 3.22Å; C260-Y264 VanDerWaalsContact O-CB 3.3Å; C260-Y264 WeakPolarHBondContact O-CB 3.17Å; C260-Y264 PolarHBondContact O-N 3.47Å
261S94.4Very high95.1Very high47 Ų4767.8 Ų67.833%0.32933%0.326SS..Hα-helixtrans-62.6-43.8177-60.40000111.6H257 I258 Y264 M265H257-S261 VanDerWaalsContact O-CB 3.25Å; H257-S261 WeakPolarHBondContact O-CB 3.38Å; H257-S261 PolarHBondContact O-N 3.11Å; H257-S261 PolarHBondContact O-OG 2.9Å; I258-S261 PolarHBondContact O-N 2.98Å; S261-Y264 PolarHBondContact O-N 3.25Å; S261-M265 VanDerWaalsContact O-CG 3.31Å; S261-M265 WeakPolarHBondContact O-CG 3.28Å; S261-M265 PolarHBondContact O-N 3.37Å
262K94.5Very high95.4Very high30 Ų3069.8 Ų69.813%0.1334%0.335CS..Hα-helixtrans-59.6-50.6175.2179.5168174.4165.80112D173 D175 D176 I179 I258 K259 Y264 M265 Q266D173-K262 IonicContact OD1-NZ 3.5Å; D173-K262 IonicContact OD2-NZ 3.18Å; D173-K262 PolarHBondContact OD2-NZ 3.38Å; D175-K262 IonicContact OD2-NZ 3.9Å; D176-K262 WeakPolarHBondContact OD1-CD 3.33Å; D176-K262 IonicContact OD1-NZ 3.74Å; D176-K262 PolarHBondContact OD1-NZ 3.5Å; I179-K262 HydrophobicContact CD1-CB 3.72Å; I179-K262 HydrophobicContact CD1-CD 4.46Å; I179-K262 HydrophobicContact CD1-CG 4.23Å; I258-K262 WeakPolarHBondContact O-CB 3.2Å; I258-K262 PolarHBondContact O-N 2.88Å; K259-K262 PolarHBondContact O-N 3.34Å; K262-Y264 VanDerWaalsContact C-N 3.29Å; K262-Y264 PolarHBondContact O-N 2.93Å; K262-M265 PolarHBondContact O-N 3.22Å; K262-Q266 WeakPolarHBondContact O-CG 3.41Å; K262-Q266 PolarHBondContact O-N 3.13Å
263A95.9Very high95.6Very high54 Ų5473.1 Ų73.145%0.44636%0.356SS..Hα-helixtrans-59.3-41.8177.800000111.6K259 C260 Q266 M267K259-A263 WeakPolarHBondContact O-CB 3.33Å; K259-A263 PolarHBondContact O-N 3.24Å; C260-A263 PolarHBondContact O-N 3.22Å; A263-Q266 PolarHBondContact O-N 2.87Å; A263-M267 WeakPolarHBondContact O-CB 3.43Å; A263-M267 PolarHBondContact O-N 3.36Å
264Y96Very high95.8Very high131 Ų13175.8 Ų75.851%0.51437%0.374SS..Hα-helixtrans-63.5-46.1176.7-179.3-103.4000112.4C260 S261 K262 Q266 M267 R268C260-Y264 VanDerWaalsContact O-CB 3.3Å; C260-Y264 WeakPolarHBondContact O-CB 3.17Å; C260-Y264 PolarHBondContact O-N 3.47Å; S261-Y264 PolarHBondContact O-N 3.25Å; K262-Y264 VanDerWaalsContact C-N 3.29Å; K262-Y264 PolarHBondContact O-N 2.93Å; Y264-Q266 PolarHBondContact O-N 3.11Å; Y264-M267 WeakPolarHBondContact O-CB 3.32Å; Y264-M267 PolarHBondContact O-N 3.14Å; Y264-R268 VanDerWaalsContact CE1-CD 3.45Å; Y264-R268 HydrophobicContact CE1-CG 4.26Å; Y264-R268 PolarHBondContact O-N 3.31Å; Y264-R268 PolarHBondContact OH-NH1 3.32Å; Y264-R268 VanDerWaalsContact OH-NH1 3.1Å
265M95.5Very high96Very high101 Ų10180.3 Ų80.350%0.49840%0.395SS..Hα-helixtrans-59.5-46.1175.4-72.6176.169.900111.4I179 S261 K262 M267 R268 M269I179-M265 HydrophobicContact CD1-SD 4.42Å; S261-M265 VanDerWaalsContact O-CG 3.31Å; S261-M265 WeakPolarHBondContact O-CG 3.28Å; S261-M265 PolarHBondContact O-N 3.37Å; K262-M265 PolarHBondContact O-N 3.22Å; M265-M267 VanDerWaalsContact C-N 3.35Å; M265-M267 PolarHBondContact O-N 3.13Å; M265-R268 PolarHBondContact O-N 3.49Å; M265-M269 WeakPolarHBondContact O-CG 3.26Å; M265-M269 PolarHBondContact O-N 3.07Å
266Q96.2Very high96.2Very high69 Ų6985 Ų8532%0.32242%0.416SS..Hα-helixtrans-61.4-41.9177.3-70.2-179.70.900112.5K262 A263 Y264 R268 M269 R270K262-Q266 WeakPolarHBondContact O-CG 3.41Å; K262-Q266 PolarHBondContact O-N 3.13Å; A263-Q266 PolarHBondContact O-N 2.87Å; Y264-Q266 PolarHBondContact O-N 3.11Å; Q266-R268 VanDerWaalsContact C-N 3.33Å; Q266-R268 PolarHBondContact O-N 2.85Å; Q266-M269 HydrophobicContact CG-CE 4.19Å; Q266-M269 PolarHBondContact O-N 3Å; Q266-R270 WeakPolarHBondContact O-CG 3.48Å; Q266-R270 PolarHBondContact O-N 3.1Å
267M97.7Very high96.3Very high131 Ų13184.9 Ų84.965%0.64542%0.421SS*.Hα-helixtrans-58.2-45.2175-179.1-175.4177.400111.4A263 Y264 M265 R270 A271A263-M267 WeakPolarHBondContact O-CB 3.43Å; A263-M267 PolarHBondContact O-N 3.36Å; Y264-M267 WeakPolarHBondContact O-CB 3.32Å; Y264-M267 PolarHBondContact O-N 3.14Å; M265-M267 VanDerWaalsContact C-N 3.35Å; M265-M267 PolarHBondContact O-N 3.13Å; M267-R270 PolarHBondContact O-N 2.66Å; M267-A271 WeakPolarHBondContact O-CB 3.29Å; M267-A271 PolarHBondContact O-N 3.14Å
268R98Very high96.3Very high156 Ų15690 Ų9059%0.58944%0.443SS*.Hα-helixtrans-66.9-41.8178.6-70.9-171.269.6143.9-1.7113Y264 M265 Q266 A271 K272Y264-R268 VanDerWaalsContact CE1-CD 3.45Å; Y264-R268 HydrophobicContact CE1-CG 4.26Å; Y264-R268 PolarHBondContact O-N 3.31Å; Y264-R268 PolarHBondContact OH-NH1 3.32Å; Y264-R268 VanDerWaalsContact OH-NH1 3.1Å; M265-R268 PolarHBondContact O-N 3.49Å; Q266-R268 VanDerWaalsContact C-N 3.33Å; Q266-R268 PolarHBondContact O-N 2.85Å; R268-A271 PolarHBondContact O-N 3.36Å; R268-K272 PolarHBondContact O-N 2.59Å
269M98Very high96.3Very high111 Ų11194 Ų9455%0.54747%0.467SS..Hα-helixtrans-60.2-46.9176.1-71.7-173.4-69.600110.8M265 Q266 A271 K272 T273M265-M269 WeakPolarHBondContact O-CG 3.26Å; M265-M269 PolarHBondContact O-N 3.07Å; Q266-M269 HydrophobicContact CG-CE 4.19Å; Q266-M269 PolarHBondContact O-N 3Å; M269-A271 PolarHBondContact O-N 3.27Å; M269-K272 PolarHBondContact O-N 2.98Å; M269-T273 PolarHBondContact O-N 3.31Å; M269-T273 PolarHBondContact O-OG1 3.21Å; M269-T273 VanDerWaalsContact O-OG1 3.09Å
270R97.7Very high96.3Very high153 Ų15393.4 Ų93.458%0.57747%0.469SS*.Hα-helixtrans-59-46.2175.5-70.7178.2-172.6111.53.9112.1Q266 M267 K272 T273 V274Q266-R270 WeakPolarHBondContact O-CG 3.48Å; Q266-R270 PolarHBondContact O-N 3.1Å; M267-R270 PolarHBondContact O-N 2.66Å; R270-K272 VanDerWaalsContact C-N 3.28Å; R270-K272 PolarHBondContact O-N 2.83Å; R270-T273 PolarHBondContact O-N 2.78Å; R270-V274 WeakPolarHBondContact O-CG2 3.4Å; R270-V274 PolarHBondContact O-N 3.09Å
271A97.9Very high96.2Very high62 Ų6296.6 Ų96.651%0.51248%0.483SS..Hα-helixtrans-58.9-41.2177.400000111.7M267 R268 M269 V274 E275M267-A271 WeakPolarHBondContact O-CB 3.29Å; M267-A271 PolarHBondContact O-N 3.14Å; R268-A271 PolarHBondContact O-N 3.36Å; M269-A271 PolarHBondContact O-N 3.27Å; A271-V274 PolarHBondContact O-N 3.31Å; A271-E275 PolarHBondContact O-N 2.86Å
272K98Very high96Very high85 Ų85104.5 Ų104.537%0.3751%0.505SS..Hα-helixtrans-69.5-38.6177.7-166.652.1164.4176.70112.7R268 M269 R270 V274 E275 F276R268-K272 PolarHBondContact O-N 2.59Å; M269-K272 PolarHBondContact O-N 2.98Å; R270-K272 VanDerWaalsContact C-N 3.28Å; R270-K272 PolarHBondContact O-N 2.83Å; K272-V274 VanDerWaalsContact C-N 3.34Å; K272-V274 PolarHBondContact O-N 3.13Å; K272-E275 HydrophobicContact CD-CB 4.37Å; K272-E275 WeakPolarHBondContact CD-OE2 3.21Å; K272-E275 IonicContact NZ-OE1 3.79Å; K272-E275 PolarHBondContact NZ-OE1 3.35Å; K272-E275 IonicContact NZ-OE2 2.61Å; K272-E275 PolarHBondContact NZ-OE2 3.08Å; K272-E275 WeakPolarHBondContact O-CB 3.36Å; K272-E275 PolarHBondContact O-N 3.2Å; K272-F276 HydrophobicContact CD-CE1 4.07Å; K272-F276 HydrophobicContact CD-CE2 4.37Å; K272-F276 HydrophobicContact CD-CZ 3.98Å; K272-F276 VanDerWaalsContact CE-CE1 3.47Å; K272-F276 VanDerWaalsContact CE-CZ 3.44Å; K272-F276 HydrophobicContact CG-CD2 4.34Å; K272-F276 HydrophobicContact CG-CE1 4.42Å; K272-F276 HydrophobicContact CG-CE2 3.83Å; K272-F276 HydrophobicContact CG-CZ 3.88Å; K272-F276 WeakPolarHBondContact O-CG 3.2Å; K272-F276 PolarHBondContact O-N 3.11Å
273T98.1Very high95.9Very high78 Ų78106.3 Ų106.348%0.47953%0.526SS..Hα-helixtrans-59.6-44.3172.4-57.90000111.5M269 R270 E275 F276 L277M269-T273 PolarHBondContact O-N 3.31Å; M269-T273 PolarHBondContact O-OG1 3.21Å; M269-T273 VanDerWaalsContact O-OG1 3.09Å; R270-T273 PolarHBondContact O-N 2.78Å; T273-E275 VanDerWaalsContact C-N 3.29Å; T273-E275 PolarHBondContact O-N 3.09Å; T273-F276 PolarHBondContact O-N 3.07Å; T273-L277 HydrophobicContact CG2-CD1 4.21Å; T273-L277 HydrophobicContact CG2-CG 4.49Å; T273-L277 WeakPolarHBondContact O-CG 3.47Å; T273-L277 PolarHBondContact O-N 2.83Å
274V97.5Very high95.1Very high77 Ų77110.8 Ų110.847%0.46754%0.537SS..Hα-helixtrans-61.1-39.5176170.50000111.4R270 A271 K272 L277 K278R270-V274 WeakPolarHBondContact O-CG2 3.4Å; R270-V274 PolarHBondContact O-N 3.09Å; A271-V274 PolarHBondContact O-N 3.31Å; K272-V274 VanDerWaalsContact C-N 3.34Å; K272-V274 PolarHBondContact O-N 3.13Å; V274-L277 PolarHBondContact O-N 2.87Å; V274-K278 WeakPolarHBondContact O-CG 3.49Å; V274-K278 PolarHBondContact O-N 2.78Å; V274-K278 VanDerWaalsContact O-N 3.13Å
275E96.9Very high94.3Very high95 Ų95110.4 Ų110.444%0.44454%0.543SS..Hα-helixtrans-61.8-46.6174.7-166.5-164.6136.700111.6A271 K272 T273 K278 V279A271-E275 PolarHBondContact O-N 2.86Å; K272-E275 HydrophobicContact CD-CB 4.37Å; K272-E275 WeakPolarHBondContact CD-OE2 3.21Å; K272-E275 IonicContact NZ-OE1 3.79Å; K272-E275 PolarHBondContact NZ-OE1 3.35Å; K272-E275 IonicContact NZ-OE2 2.61Å; K272-E275 PolarHBondContact NZ-OE2 3.08Å; K272-E275 WeakPolarHBondContact O-CB 3.36Å; K272-E275 PolarHBondContact O-N 3.2Å; T273-E275 VanDerWaalsContact C-N 3.29Å; T273-E275 PolarHBondContact O-N 3.09Å; E275-K278 WeakPolarHBondContact O-CB 3.48Å; E275-K278 PolarHBondContact O-N 3Å; E275-V279 WeakPolarHBondContact O-CG2 3.28Å; E275-V279 PolarHBondContact O-N 3.12Å
276F97.4Very high93.3Very high115 Ų115113.8 Ų113.850%0.50456%0.558SS.*Hα-helixtrans-65.4-38.9178-67.3-26.5000113.1K272 T273 K278 V279 L280K272-F276 HydrophobicContact CD-CE1 4.07Å; K272-F276 HydrophobicContact CD-CE2 4.37Å; K272-F276 HydrophobicContact CD-CZ 3.98Å; K272-F276 VanDerWaalsContact CE-CE1 3.47Å; K272-F276 VanDerWaalsContact CE-CZ 3.44Å; K272-F276 HydrophobicContact CG-CD2 4.34Å; K272-F276 HydrophobicContact CG-CE1 4.42Å; K272-F276 HydrophobicContact CG-CE2 3.83Å; K272-F276 HydrophobicContact CG-CZ 3.88Å; K272-F276 WeakPolarHBondContact O-CG 3.2Å; K272-F276 PolarHBondContact O-N 3.11Å; T273-F276 PolarHBondContact O-N 3.07Å; F276-K278 VanDerWaalsContact C-N 3.28Å; F276-K278 PolarHBondContact O-N 3.39Å; F276-V279 WeakPolarHBondContact O-CB 3.27Å; F276-V279 PolarHBondContact O-N 3.16Å; F276-V279 VanDerWaalsContact O-N 3.11Å; F276-L280 WeakPolarHBondContact O-CG 3.25Å; F276-L280 PolarHBondContact O-N 3.28Å
277L96Very high92.1Very high89 Ų89118 Ų11847%0.46658%0.577SS.*Hα-helixtrans-61.2-37.4174-73.4172.2000111.8T273 V274 V279 L280 N281T273-L277 HydrophobicContact CG2-CD1 4.21Å; T273-L277 HydrophobicContact CG2-CG 4.49Å; T273-L277 WeakPolarHBondContact O-CG 3.47Å; T273-L277 PolarHBondContact O-N 2.83Å; V274-L277 PolarHBondContact O-N 2.87Å; L277-V279 VanDerWaalsContact C-N 3.33Å; L277-V279 PolarHBondContact O-N 2.82Å; L277-L280 PolarHBondContact O-N 3.42Å; L277-N281 WeakPolarHBondContact O-CB 3.28Å; L277-N281 PolarHBondContact O-N 3.06Å
278K94.4Very high90.5Very high125 Ų125117.4 Ų117.454%0.54359%0.585SS.*Hα-helixtrans-63.4-39.3173.7-71.4173.3-179.2-178.70112.1V274 E275 F276 R282V274-K278 WeakPolarHBondContact O-CG 3.49Å; V274-K278 PolarHBondContact O-N 2.78Å; V274-K278 VanDerWaalsContact O-N 3.13Å; E275-K278 WeakPolarHBondContact O-CB 3.48Å; E275-K278 PolarHBondContact O-N 3Å; F276-K278 VanDerWaalsContact C-N 3.28Å; F276-K278 PolarHBondContact O-N 3.39Å; K278-R282 VanDerWaalsContact O-CG 3.28Å; K278-R282 WeakPolarHBondContact O-CG 3.45Å; K278-R282 PolarHBondContact O-N 3.18Å; K278-R282 VanDerWaalsContact O-N 3.14Å
279V94.2Very high88.6Confident83 Ų83115.8 Ų115.850%0.50359%0.593SS.*Hα-helixtrans-64.8-45.5176.5176.50000110.3E275 F276 L277 R282 A283E275-V279 WeakPolarHBondContact O-CG2 3.28Å; E275-V279 PolarHBondContact O-N 3.12Å; F276-V279 WeakPolarHBondContact O-CB 3.27Å; F276-V279 PolarHBondContact O-N 3.16Å; F276-V279 VanDerWaalsContact O-N 3.11Å; L277-V279 VanDerWaalsContact C-N 3.33Å; L277-V279 PolarHBondContact O-N 2.82Å; V279-R282 PolarHBondContact O-N 3.27Å; V279-A283 PolarHBondContact O-N 3.46Å; V279-A283 VanDerWaalsContact O-N 3.1Å
280L93.6Very high86.3Confident114 Ų114117.7 Ų117.760%0.59761%0.605SS**Hα-helixtrans-63.1-45.2177.4-70.1173.2000112.4F276 L277 R282 A283 H284F276-L280 WeakPolarHBondContact O-CG 3.25Å; F276-L280 PolarHBondContact O-N 3.28Å; L277-L280 PolarHBondContact O-N 3.42Å; L280-R282 VanDerWaalsContact C-N 3.25Å; L280-R282 PolarHBondContact O-N 2.79Å; L280-A283 CarbonylContact O-C 3.55Å; L280-A283 PolarHBondContact O-N 2.95Å; L280-H284 PolarHBondContact O-N 2.85Å
281N92Very high84.1Confident122 Ų122116.1 Ų116.165%0.65261%0.613SS**Hα-helixtrans-62.3-33.2178.1-71.9-11000112.3L277 A283L277-N281 WeakPolarHBondContact O-CB 3.28Å; L277-N281 PolarHBondContact O-N 3.06Å; N281-A283 VanDerWaalsContact C-N 3.34Å
282R91.6Very high82Confident213 Ų213119 Ų11980%0.80462%0.624SS**Hα-helixtrans-71.3-29.5172.7-72.6171.6-177.9-178.5-0.1113.1K278 V279 L280 H284K278-R282 VanDerWaalsContact O-CG 3.28Å; K278-R282 WeakPolarHBondContact O-CG 3.45Å; K278-R282 PolarHBondContact O-N 3.18Å; K278-R282 VanDerWaalsContact O-N 3.14Å; V279-R282 PolarHBondContact O-N 3.27Å; L280-R282 VanDerWaalsContact C-N 3.25Å; L280-R282 PolarHBondContact O-N 2.79Å; R282-H284 VanDerWaalsContact C-N 3.33Å
283A90.7Very high79.8Confident69 Ų69121.1 Ų121.157%0.5764%0.638SS**Hα-helixtrans-83.8-10.4179.600000112.9V279 L280 N281 I285V279-A283 PolarHBondContact O-N 3.46Å; V279-A283 VanDerWaalsContact O-N 3.1Å; L280-A283 CarbonylContact O-C 3.55Å; L280-A283 PolarHBondContact O-N 2.95Å; N281-A283 VanDerWaalsContact C-N 3.34Å; A283-I285 PolarHBondContact O-N 2.76Å; A283-I285 VanDerWaalsContact O-N 3.13Å
284H79.9Confident77.2Confident147 Ų147123.4 Ų123.468%0.68165%0.647SS**  trans-65.2114.2178-161.7-92.9000109.7L280 R282L280-H284 PolarHBondContact O-N 2.85Å; R282-H284 VanDerWaalsContact C-N 3.33Å
285I79.3Confident74.5Confident124 Ų124125.1 Ų125.164%0.63666%0.658SS**  trans-80.7119.6175.3-59.5173.8000106.9A283 H287A283-I285 PolarHBondContact O-N 2.76Å; A283-I285 VanDerWaalsContact O-N 3.13Å; I285-H287 PolarHBondContact O-N 2.98Å
286E74.7Confident72.1Confident172 Ų172127 Ų12780%0.80467%0.672SS**  trans-66.7104167.8-66.8-171.1176.100108S288E286-S288 PolarHBondContact O-N 2.83Å; E286-S288 VanDerWaalsContact O-N 3.12Å
287H70.6Confident69.5Low158 Ų158128.5 Ų128.573%0.73168%0.683SS**  trans-67.3111166.3-67.9-68.9000107.2I285 T289I285-H287 PolarHBondContact O-N 2.98Å; H287-T289 PolarHBondContact O-N 3.03Å
288S63.9Low66.9Low117 Ų117130.9 Ų130.982%0.81870%0.701SS**  trans-60.386.9167.7-55.80000109E286 N290E286-S288 PolarHBondContact O-N 2.83Å; E286-S288 VanDerWaalsContact O-N 3.12Å; S288-N290 PolarHBondContact O-N 3.23Å
289T59Low64.2Low122 Ų122130.6 Ų130.675%0.74871%0.71SS**  trans-68.985.8161.346.60000106H287H287-T289 PolarHBondContact O-N 3.03Å
290N49.6Very low61.6Low151 Ų151132.9 Ų132.981%0.80772%0.724SS**  trans173.669.6154.4-83.5-21.1000111.2S288S288-N290 PolarHBondContact O-N 3.23Å
291T50.2Low59.2Low120 Ų120133 Ų13374%0.73673%0.734SS**  trans-142.970.6140.1-33.60000108.4I293T291-I293 VanDerWaalsContact C-N 3.28Å; T291-I293 HydrophobicContact CG2-CG1 4.28Å; T291-I293 PolarHBondContact O-N 2.75Å
292V54.6Low56.5Low122 Ų122130.7 Ų130.774%0.73974%0.74SS**  trans-60.2108.4148.8177.70000104N294V292-N294 VanDerWaalsContact C-N 3.25Å; V292-N294 PolarHBondContact O-N 3.04Å
293I50.8Low53.6Low130 Ų130129.9 Ų129.967%0.66775%0.745SS**  trans-64.595.4175.1-58172.6000105.4T291 T295T291-I293 VanDerWaalsContact C-N 3.28Å; T291-I293 HydrophobicContact CG2-CG1 4.28Å; T291-I293 PolarHBondContact O-N 2.75Å; I293-T295 HydrophobicContact CG2-CG2 3.83Å; I293-T295 PolarHBondContact O-N 3.12Å
294N45Very low50.7Low126 Ų126133.5 Ų133.567%0.67476%0.76SS**  trans-70.886.2169.3-78-7.5000107.5V292 N296V292-N294 VanDerWaalsContact C-N 3.25Å; V292-N294 PolarHBondContact O-N 3.04Å; N294-N296 PolarHBondContact O-N 2.88Å
295T40.8Very low48.3Very low114 Ų114130.8 Ų130.870%0.69976%0.763SS**  trans-72.672.2162.849.90000108.7I293 I297I293-T295 HydrophobicContact CG2-CG2 3.83Å; I293-T295 PolarHBondContact O-N 3.12Å; T295-I297 PolarHBondContact O-N 3.34Å
296N45.3Very low46.3Very low135 Ų135130.7 Ų130.772%0.72277%0.77SS**  trans-89.4101.3169.1-78.53.8000108.9N294 T298N294-N296 PolarHBondContact O-N 2.88Å; N296-T298 PolarHBondContact O-N 3.29Å
297I44.3Very low44.4Very low146 Ų146130.2 Ų130.275%0.74977%0.771SS**  trans-49.2116.1166.2-66163.7000108.8T295 T299T295-I297 PolarHBondContact O-N 3.34Å; I297-T299 HydrophobicContact CG2-CG2 4.29Å; I297-T299 PolarHBondContact O-N 2.97Å; I297-T299 VanDerWaalsContact O-N 3.1Å
298T39.6Very low42.4Very low138 Ų138128 Ų12885%0.84777%0.774SS**  trans-78.588.3176.4-35.80000109.4N296N296-T298 PolarHBondContact O-N 3.29Å
299T39.1Very low41Very low119 Ų119127.4 Ų127.473%0.7377%0.767SS**  trans-105.8108.8158.446.90000109.6I297I297-T299 HydrophobicContact CG2-CG2 4.29Å; I297-T299 PolarHBondContact O-N 2.97Å; I297-T299 VanDerWaalsContact O-N 3.1Å
300V39.9Very low39.7Very low131 Ų131128.9 Ų128.979%0.79477%0.77SS**  trans-9.9129158.5-142.40000115.7
301S42.4Very low38.7Very low116 Ų116128.9 Ų128.981%0.81177%0.767SS**  trans102.6108.6155.5-36.80000117.4
302G35.2Very low37.9Very low74 Ų74130.3 Ų130.376%0.76377%0.77SS**  trans96.8110.4135.600000119.7
303E31.2Very low36.7Very low196 Ų196132.6 Ų132.692%0.91677%0.77SS**  trans78.7104.6143.6-64.2-177153.400123.3
304V28.4Very low35.8Very low145 Ų145134.1 Ų134.188%0.87978%0.778SS**  trans25.4124.1135.3-165.90000123.1
305A31.4Very low35.2Very low91 Ų91131.3 Ų131.375%0.75278%0.778SS**  157.9157.4120.100000113.8
306P35.6Very low34.7Very low121 Ų121129.1 Ų129.179%0.78678%0.779SS**  trans-105.9151-156.738.6-30.1000115.5
307I36Very low34.1Very low162 Ų162130.6 Ų130.683%0.83179%0.785SS**  trans-136.4118164.5-59.2178.9000109.9
308S28.2Very low33.5Very low111 Ų111132 Ų13278%0.77679%0.788SS**  trans-76.5144.5161.5-56.60000108.9
309P34.8Very low33.2Very low106 Ų106130.5 Ų130.569%0.68878%0.783SS**  -148.5149.3117.826.1-5.1000116.8
310L31Very low33Very low152 Ų152131.8 Ų131.880%0.79679%0.785SS**  trans73.892.3145.6-90.583000119.9N312L310-N312 PolarHBondContact O-N 3.08Å
311M28.2Very low32.6Very low152 Ų152133.3 Ų133.375%0.74979%0.789SS**  -29.5120.5127.6-77.7175.6144.400112.3
312N33.4Very low32.1Very low149 Ų149137.1 Ų137.180%0.79780%0.797SS**  trans-111.193.7147.6-113-6.7000108.1L310 I314L310-N312 PolarHBondContact O-N 3.08Å; N312-I314 PolarHBondContact O-N 3.29Å
313K30.5Very low31.9Very low171 Ų171136.1 Ų136.174%0.74379%0.787SS**  trans-66108.6163.6-77.7175.4173.6176.90107.8
314I32.6Very low31.9Very low162 Ų162138 Ų13883%0.83179%0.786SS**  trans-109.493.6147.1-60.6179.4000104.6N312 G316N312-I314 PolarHBondContact O-N 3.29Å; I314-G316 PolarHBondContact O-N 3.01Å; I314-G316 VanDerWaalsContact O-N 3.08Å
315G30.8Very low32Very low66 Ų66136.7 Ų136.768%0.6878%0.778SS**  trans-59.4111.8-178.300000109.8I317G315-I317 PolarHBondContact O-N 2.84Å
316G30.7Very low32.2Very low69 Ų69141.9 Ų141.971%0.71179%0.789SS**  trans-55.8123.4160.100000108.6I314 Q318I314-G316 PolarHBondContact O-N 3.01Å; I314-G316 VanDerWaalsContact O-N 3.08Å; G316-Q318 VanDerWaalsContact C-N 3.34Å; G316-Q318 PolarHBondContact O-N 2.9Å
317I32.9Very low32.1Very low165 Ų165146.7 Ų146.785%0.84679%0.791SS**  trans-63.2101.8164.8-64.6170.5000105.3G315 S319G315-I317 PolarHBondContact O-N 2.84Å; I317-S319 PolarHBondContact O-N 3.38Å
318Q32.3Very low31.9Very low176 Ų176145.6 Ų145.682%0.82279%0.792SS**  trans-57.1111.5169.3-79.4176.2-14.300107.2G316 D320G316-Q318 VanDerWaalsContact C-N 3.34Å; G316-Q318 PolarHBondContact O-N 2.9Å; Q318-D320 PolarHBondContact O-N 2.94Å
319S33.1Very low32.7Very low107 Ų107147.6 Ų147.675%0.74883%0.83SS**  trans-76.2102.7164.638.60000106.1I317 N321I317-S319 PolarHBondContact O-N 3.38Å; S319-N321 PolarHBondContact O-N 3.38Å
320D34Very low32.5Very low145 Ų145149.7 Ų149.778%0.77584%0.837SS**  trans-54.8112.6169.9-84.3-32000108.9Q318 M322Q318-D320 PolarHBondContact O-N 2.94Å; D320-M322 PolarHBondContact O-N 3.29Å
321N32.7Very low32.6Very low163 Ų163149.5 Ų149.587%0.87284%0.84SS**  trans-6580.8167.2-97.7-24.2000108.6S319 G323S319-N321 PolarHBondContact O-N 3.38Å; N321-G323 PolarHBondContact O-N 3.1Å
322M31.9Very low32.9Very low196 Ų196149.4 Ų149.497%0.96685%0.845SS**  trans-75.172.5156.8-89.1-165.5176.700108.8D320D320-M322 PolarHBondContact O-N 3.29Å
323G30.5Very low32.9Very low54 Ų54149.4 Ų149.456%0.55785%0.848SS**  trans-123105.3170.800000109N321N321-G323 PolarHBondContact O-N 3.1Å
324R30.5Very low33Very low236 Ų236148.1 Ų148.189%0.89185%0.854SS**  trans27.4126.4142.2-69.9170.3167.8170-4.8114.4
325T32.2Very low33Very low117 Ų117147.1 Ų147.172%0.71886%0.856SS**  176.2131.464.5-22.90000105.4
326M35.3Very low33.2Very low199 Ų199152.9 Ų152.998%0.9887%0.868SS**  trans-129.8115.7150.6-84.7-148.8-174.100109.3
327R32.7Very low33.4Very low222 Ų222159.4 Ų159.484%0.83888%0.88SS**  trans-75.1143.7173.2-77.8175.3167.3179.4-4.9109.3
328T31.1Very low33.4Very low139 Ų139158.9 Ų158.985%0.85388%0.883SS**  trans4.2121.1141.856.60000117.6
329G44.8Very low33.5Very low153 Ų153157.4 Ų157.4100%1.57789%0.889SS**  trans-160.30156.700000106.6

Retrieved 329 of 329 residues in 99.6 ms (Link to these results)

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